SCHEMBL8922877

SCHEMBL8922877

O=C1NC(Cc2ccccc2)CC(c2ccccc2)CC1Br

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.39
HDAC8 Q9BY41 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 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
SCHEMBL8921532 0.77 MAPT (0.38) DDB1CRBN
SCHEMBL8921183 0.75 CRBN (0.47) PLGDDB1CRBNPOLBHPGD
SCHEMBL23477961 0.72 CYP3A4 (0.44) HDAC8DDB1CRBNPOLBCYP3A4
SCHEMBL22559996 0.72 CYP3A4 (0.44) HDAC8DDB1CRBNPOLBCYP3A4
SCHEMBL7450643 0.72 HDAC8 (0.41) PLGHDAC8DDB1CRBNPOLB
SCHEMBL8920948 0.70 L3MBTL1 (0.41) TSHR
SCHEMBL10153073 0.70 TACR2 (0.43) HDAC8POLB
SCHEMBL10153070 0.70 TACR2 (0.43) HDAC8POLB
SCHEMBL2135826 0.68 DDB1 (0.41) HDAC8DDB1CRBN
SCHEMBL2817620 0.66 DDB1 (0.45) HDAC8DDB1CRBNHPGDTSHR

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