SCHEMBL205144

SCHEMBL205144

N#CC(=NO)C(=O)N[C@]1(OC(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
TXNRD1 Q16881 1/20 0.30
HTT P42858 2/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2811770 0.86 CTDSP1 (0.35) CTDSP1ALDH1A1POLBTXNRD1HTT
SCHEMBL2811773 0.86 CTDSP1 (0.35) CTDSP1ALDH1A1POLBTXNRD1HTT
SCHEMBL185629 0.81 POLB (0.36) CTDSP1ALDH1A1POLBHPGDGAA
SCHEMBL185869 0.80 ALDH1A1 (0.35) CTDSP1ALDH1A1POLBHTTMAPT
SCHEMBL185723 0.80 KCNH2 (0.41) ALDH1A1POLBHTTMAPTGAA
SCHEMBL185812 0.80 POLB (0.34) CTDSP1POLBHTTSMN1; SMN2
SCHEMBL186038 0.79 NAMPT (0.40) GAA
SCHEMBL186396 0.79 HPGD (0.40) POLBMAPTHPGDSMN1; SMN2
SCHEMBL186112 0.79 HDAC1 (0.39) ALDH1A1POLBMAPTNPSR1
SCHEMBL185726 0.79 GAA (0.42) ALDH1A1POLBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed