SCHEMBL4375378

SCHEMBL4375378

CNC1CCCC[C]1C(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 7/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
USP2 O75604 1/20 0.36
PHGDH O43175 1/20 0.36

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
SCHEMBL4378406 0.68 ACHE (0.35) HTTLMNAALDH1A1TSHR
SCHEMBL27487569 0.67 HTT (0.50) HTTLMNAALDH1A1TSHRKMT2A
SCHEMBL6881685 0.64 HTT (0.47) HTTLMNAALDH1A1TSHRKMT2A
SCHEMBL6870646 0.64 HTT (0.47) HTTLMNAALDH1A1TSHRKMT2A
SCHEMBL675834 0.64 POLB (0.68) HTTKMT2ASMN1; SMN2PKMPOLB
SCHEMBL28693899 0.64 HPGD (0.53) HTTLMNAL3MBTL1TSHRMAPT
SCHEMBL1616946 0.63 L3MBTL1 (0.42) L3MBTL1ALDH1A1TSHRMAPTKMT2A
SCHEMBL24324150 0.62 F10 (0.56)
SCHEMBL21755101 0.62 TSHR (0.41) L3MBTL1ALDH1A1TSHRMAPTKMT2A
SCHEMBL30868072 0.61 KDM4E (0.44) HTTALDH1A1TSHRMAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091925-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME Boehringer Ingelheim International GmbH (DE) 2009-08-26 EP claimed
WO-2008055854-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 WO claimed
EP-2091925-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME Boehringer Ingelheim International GmbH (DE) 2009-08-26 EP disclosed
WO-2008055854-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 WO disclosed