SCHEMBL8920289

SCHEMBL8920289

O=C1CCC(c2ccc(F)cc2)c2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 9/20 0.50
DDB1 Q16531 8/20 0.50
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PRCP P42785 1/20 0.40

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
SCHEMBL3053841 0.88 DDB1 (0.65) CRBNDDB1NPC1MAPK13MAPK12
SCHEMBL4871374 0.85 KMT2A (0.46) CRBNDDB1LMNAKMT2ANPC1
SCHEMBL8922504 0.85 DDB1 (0.50) CRBNDDB1TP53NPC1MAPK13
SCHEMBL8920781 0.85 CRBN (0.52) CRBNDDB1KMT2ANPC1MAPK13
SCHEMBL8921094 0.82 LMNA (0.52) CRBNDDB1LMNANPC1MAPK13
SCHEMBL8922817 0.79 SLC6A2 (0.51) CRBNDDB1TP53MAPK1LMNA
SCHEMBL8924450 0.77 MAPT (0.42) TP53GAAMAPK1
SCHEMBL8920256 0.76 LMNA (0.54) CRBNDDB1TP53GAALMNA
SCHEMBL8102823 0.76 DDB1 (0.48) CRBNDDB1TP53GAANPC1
SCHEMBL2489537 0.74 CYP19A1 (0.47) PRCP

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