SCHEMBL6177979

SCHEMBL6177979

CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)CN(C2CCCCC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.54
NPY1R P25929 1/20 0.45
CCKAR P32238 6/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6178534 0.93 CCKBR (0.48) CCKBRCCKAR
SCHEMBL6179109 0.91 FPR2 (0.47) CCKBRCCKARNPC1EPHX1RAB9A
SCHEMBL6179287 0.91 CCKBR (0.54) CCKBRNPY1RCCKARNPC1EPHX1
SCHEMBL6176882 0.91 CCKBR (0.57) CCKBRCCKAR
SCHEMBL6181803 0.86 CCKBR (0.46) CCKBRCCKAR
SCHEMBL16490254 0.86 CCKBR (0.60) CCKBRCCKAR
SCHEMBL6179005 0.86 POLB (0.46) CCKBRCCKAR
SCHEMBL6177206 0.85 CCKBR (0.46) CCKBRCCKAR
SCHEMBL6177212 0.85 CCKBR (0.46) CCKBRCCKAR
SCHEMBL1556430 0.85 CCKBR (0.54) 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-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed