SCHEMBL8921183

SCHEMBL8921183

O=C1CCC(c2ccccc2)CC(Cc2ccccc2)N1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.47
DDB1 Q16531 3/20 0.47
CTSD P07339 1/20 0.46
PLG P00747 2/20 0.42
SRD5A1 P18405 1/20 0.41
POLB P06746 1/20 0.40
TACR2 P21452 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2132646 0.82 CTSD (0.59) CRBNDDB1CTSDPOLBTACR2
SCHEMBL8270781 0.82 CTSD (0.59) CRBNDDB1CTSDPOLBTACR2
SCHEMBL19419777 0.82 CTSD (0.59) CRBNDDB1CTSDPOLBTACR2
SCHEMBL17305281 0.76 CTSD (0.56) CRBNDDB1CTSDPOLBTACR2
SCHEMBL5963417 0.76 CTSD (0.56) CRBNDDB1CTSDPOLBTACR2
SCHEMBL8920709 0.76 DDB1 (0.45) CRBNDDB1SRD5A1HPGD
SCHEMBL8922877 0.75 PLG (0.39) CRBNDDB1PLGPOLBHPGD
SCHEMBL23459341 0.75 CTSD (0.58) CRBNDDB1CTSDPOLBTACR2
SCHEMBL6970123 0.75 CTSD (0.58) CRBNDDB1CTSDPOLBTACR2
SCHEMBL598397 0.74 CTSD (0.54) CRBNDDB1CTSDPOLB

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