SCHEMBL8921163

SCHEMBL8921163

COc1cccc(N(C(N)=O)C2CCCC(C3CCCCC3)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
OPRM1 P35372 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
CACNA1B Q00975 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33

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
SCHEMBL8919489 0.90 L3MBTL1 (0.37) CCKBRKMT2AMEN1OPRM1SMN1; SMN2
SCHEMBL8920687 0.89 CCKBR (0.38) CCKBRKMT2AMEN1MTNR1AMTNR1B
SCHEMBL8922628 0.89 PLA2G10 (0.35) CCKBRPLA2G10PLA2G5ALDH1A1TP53
SCHEMBL8975503 0.87 CCR2 (0.36) KMT2AMEN1OPRM1CYP3A4CYP2C19
SCHEMBL8920743 0.87 RAMP1 (0.41) CCKBRKMT2AMEN1MTNR1AMTNR1B
SCHEMBL8922635 0.85 OPRM1 (0.33) KMT2AMEN1MTNR1AMTNR1BOPRM1
SCHEMBL8924342 0.85 ALDH1A1 (0.35) KMT2AMEN1MTNR1AMTNR1BOPRM1
SCHEMBL9362959 0.83 MTNR1A (0.34) KMT2AMEN1MTNR1AMTNR1BOPRM1
SCHEMBL9362054 0.83 ALDH1A1 (0.45) KMT2AMEN1MTNR1AMTNR1BOPRM1
SCHEMBL8920807 0.79 CCKBR (0.37) CCKBRKMT2AMEN1OPRM1PLA2G10

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
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP claimed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO claimed
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