SCHEMBL8534798

SCHEMBL8534798

CCOC(=O)CN1C(=O)[C@@H](N)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.66
CCKAR P32238 6/20 0.66
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8534795 1.00 CCKBR (0.66) CCKBRCCKARKMT2AALDH1A1MAPT
SCHEMBL9867205 1.00 CCKBR (0.66) CCKBRCCKARKMT2AALDH1A1MAPT
SCHEMBL9865895 0.87 CCKBR (0.70) CCKBRCCKAR
SCHEMBL8536760 0.87 CCKBR (0.70) CCKBRCCKAR
SCHEMBL8536757 0.87 CCKBR (0.70) CCKBRCCKAR
SCHEMBL9573583 0.82 CCKBR (0.47) CCKBRCCKARALDH1A1
SCHEMBL8746489 0.81 CCKBR (0.45) CCKBRCCKAR
SCHEMBL8746503 0.81 CCKBR (0.45) CCKBRCCKAR
SCHEMBL8536547 0.81 CCKBR (0.46) CCKBRCCKAR
SCHEMBL8536542 0.81 CCKBR (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed