SCHEMBL8920349

SCHEMBL8920349

Cc1cccc(N(C(N)=O)C2CCCC(c3ccccc3)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 3/20 0.42
CALCRL Q16602 3/20 0.42
CCKBR P32239 10/20 0.41
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8921722 0.90 RAMP1 (0.41) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8920178 0.90 CCKBR (0.46) CCKBRPLA2G10PLA2G5
SCHEMBL8920743 0.90 RAMP1 (0.41) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8922121 0.89 ALDH1A1 (0.39) CCKBRKMT2AMAPTALDH1A1PKM
SCHEMBL8921138 0.88 PLA2G10 (0.45) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8919489 0.87 L3MBTL1 (0.37) CCKBRPLA2G10PLA2G5KMT2AMEN1
SCHEMBL8920807 0.87 CCKBR (0.37) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8920820 0.84 CCKBR (0.40) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8924391 0.83 CCKBR (0.39) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8922067 0.82 PLA2G10 (0.43) CCKBRPLA2G10PLA2G5ALOX15

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