SCHEMBL8921722

SCHEMBL8921722

CC(C)(C)OC(=O)CN1C(=O)C(N(C(N)=O)c2cccc(Cl)c2)CCCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 3/20 0.41
CALCRL Q16602 3/20 0.41
CCKBR P32239 1/20 0.40
TP53 P04637 9/20 0.39
MDM2 Q00987 9/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
MAPT P10636 1/20 0.36
UTS2R Q9UKP6 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
SCHEMBL8920349 0.90 RAMP1 (0.42) RAMP1CALCRLCCKBRTP53PLA2G10
SCHEMBL8923886 0.90 CCKBR (0.42) RAMP1CALCRLCCKBRTP53MDM2
SCHEMBL8920743 0.89 RAMP1 (0.41) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8921392 0.87 PLA2G10 (0.35) CCKBRTP53MDM2PLA2G10PLA2G5
SCHEMBL8922628 0.87 PLA2G10 (0.35) CCKBRTP53MDM2PLA2G10PLA2G5
SCHEMBL8921199 0.83 PLA2G10 (0.42) CCKBRTP53MDM2PLA2G10PLA2G5
SCHEMBL8920178 0.80 CCKBR (0.46) CCKBRPLA2G10PLA2G5
SCHEMBL8922121 0.79 ALDH1A1 (0.39) CCKBRTP53MDM2MAPTUTS2R
SCHEMBL8921138 0.79 PLA2G10 (0.45) RAMP1CALCRLCCKBRPLA2G10PLA2G5
SCHEMBL8922606 0.79 CCKBR (0.40) RAMP1CALCRLCCKBRPLA2G10PLA2G5

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