SCHEMBL8746541

SCHEMBL8746541

CC(=O)OCCN1C(=O)[C@H](NC(=O)[C@@H](N)Cc2ccccc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.75
KCNH2 Q12809 1/20 0.75
SCN9A Q15858 5/20 0.58
SENP1 Q9P0U3 1/20 0.56
CCKAR P32238 2/20 0.55
NOTCH1 P46531 1/20 0.51
RBPJ Q06330 1/20 0.51

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
SCHEMBL10435092 1.00 CCKBR (0.75) CCKBRKCNH2SCN9ASENP1CCKAR
SCHEMBL8746530 1.00 CCKBR (0.75) CCKBRKCNH2SCN9ASENP1CCKAR
SCHEMBL8746486 0.91 CCKBR (0.62) CCKBRKCNH2SCN9ACCKAR
SCHEMBL8746502 0.91 CCKBR (0.62) CCKBRKCNH2SCN9ACCKAR
SCHEMBL8761230 0.90 CCKBR (0.79) CCKBRKCNH2SCN9ASENP1CCKAR
SCHEMBL7967402 0.88 CCKBR (0.79) CCKBRKCNH2SCN9ASENP1CCKAR
SCHEMBL9525366 0.86 CCKBR (1.00) CCKBRKCNH2SCN9ACCKARNOTCH1
SCHEMBL9526270 0.86 CCKBR (1.00) CCKBRKCNH2SCN9ACCKARNOTCH1
SCHEMBL9526276 0.86 CCKBR (1.00) CCKBRKCNH2SCN9ACCKARNOTCH1
SCHEMBL9525360 0.86 CCKBR (1.00) CCKBRKCNH2SCN9ACCKARNOTCH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349949-B1 Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-01-08 EP disclosed
US-5382664-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-17 US disclosed
US-5264433-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 US disclosed
US-4970207-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-11-13 US disclosed
EP-0349949-A2 Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-01-10 EP disclosed