SCHEMBL8920745

SCHEMBL8920745

COc1cccc(NC(=O)NC2CCCC(c3ccccc3)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.65
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
RAMP1 O60894 3/20 0.51
CALCRL Q16602 3/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 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
SCHEMBL8920354 0.90 CCKBR (0.64) CCKBR
SCHEMBL8922611 0.89 CCKBR (0.62) CCKBR
SCHEMBL8921724 0.89 CCKBR (0.61) CCKBRRAMP1CALCRL
SCHEMBL8921167 0.87 CCKBR (0.62) CCKBRMEN1ALDH1A1MAPTKMT2A
SCHEMBL8920692 0.84 CCKBR (0.57) CCKBRNPC1RAB9A
SCHEMBL8923399 0.82 CCKBR (0.56) CCKBR
SCHEMBL8920182 0.79 CCKBR (0.77) CCKBR
SCHEMBL8922128 0.78 CCKBR (0.61) CCKBR
SCHEMBL8921145 0.78 CCKBR (0.61) CCKBR
SCHEMBL9367194 0.78 CCKBR (0.83) CCKBR

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
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed