SCHEMBL7334875

SCHEMBL7334875

COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1c2ccc(Cl)cc2C(C(N)=O)CCC1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 9/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SPTLC2 O15270 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
PTGS2 P35354 1/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9445082 0.92 TAS1R3 (0.43) GRM4ALDH1A1KDM4EKMT2AMAPT
SCHEMBL8631788 0.90 AVPR2 (0.53) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4682920 0.88 HSD17B10 (0.43) GRM4ALDH1A1KDM4EKMT2AMAPT
SCHEMBL4685757 0.86 MAPT (0.42) GRM4ALDH1A1KDM4EKMT2AMAPT
SCHEMBL4685312 0.85 AVPR2 (0.53) ALDH1A1MAPTSMN1; SMN2USP2HSD17B10
SCHEMBL4684908 0.84 GRM4 (0.40) GRM4ALDH1A1KDM4EKMT2AMAPT
SCHEMBL4741540 0.83 CHRM1 (0.42) GRM4ALDH1A1KDM4EKMT2ARAB9A
SCHEMBL4684434 0.79 AVPR2 (0.52) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7334873 0.76 AVPR2 (0.54) GRM4ALDH1A1KDM4EKMT2ASPTLC2
SCHEMBL4688309 0.76 AVPR2 (0.41) GRM4ALDH1A1KDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed