SCHEMBL8746486

SCHEMBL8746486

CC(=O)OCCN1C(=O)[C@H](NC(=O)[C@@H](N)Cc2ccccc2)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.62
KCNH2 Q12809 1/20 0.62
CCKAR P32238 13/20 0.56
SCN9A Q15858 1/20 0.48

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
SCHEMBL8746502 1.00 CCKBR (0.62) CCKBRKCNH2CCKARSCN9A
SCHEMBL8746530 0.91 CCKBR (0.75) CCKBRKCNH2CCKARSCN9A
SCHEMBL8746541 0.91 CCKBR (0.75) CCKBRKCNH2CCKARSCN9A
SCHEMBL10435092 0.91 CCKBR (0.75) CCKBRKCNH2CCKARSCN9A
SCHEMBL8746517 0.85 CCKBR (0.80) CCKBRKCNH2CCKARSCN9A
SCHEMBL8746581 0.85 CCKBR (0.80) CCKBRKCNH2CCKARSCN9A
SCHEMBL8536733 0.82 CCKBR (0.59) CCKBRCCKARSCN9A
SCHEMBL8536728 0.82 CCKBR (0.59) CCKBRCCKARSCN9A
SCHEMBL8761230 0.81 CCKBR (0.79) CCKBRKCNH2CCKARSCN9A
SCHEMBL8746503 0.80 CCKBR (0.45) CCKBRCCKAR

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-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
EP-0349949-A2 Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-01-10 EP disclosed