SCHEMBL303805

SCHEMBL303805

C=CCNC(=O)[C@@H]([O])C=C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.42
HPGD P15428 5/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28887297 0.77 SMN1; SMN2 (0.50) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL15627332 0.76 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL27958358 0.76
SCHEMBL14521227 0.76 MAPT (0.48) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL4347265 0.76 MAPT (0.48) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL107767 0.76 MAPT (0.48) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL6890429 0.76 MAPT (0.48) SMN1; SMN2TSHRMAPTKMT2AHPGD
SCHEMBL29258847 0.76
SCHEMBL10980481 0.74
SCHEMBL787343 0.74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500821-A 2012-01-12 JP claimed
EP-2318403-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP claimed
EP-2288596-A2 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-03-02 EP claimed
EP-2220048-A2 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2010-08-25 EP claimed
WO-2010023161-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 WO claimed
WO-2009138386-A2 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO claimed
WO-2009063061-A2 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO claimed
EP-2350068-A2 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP disclosed
EP-2318355-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP disclosed
EP-2318403-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP disclosed
EP-2288596-A2 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-03-02 EP disclosed
EP-2220048-A2 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2010-08-25 EP disclosed
WO-2010046445-A2 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-29 WO disclosed
WO-2010023161-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 WO disclosed
WO-2010010174-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2009138386-A2 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009063061-A2 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed