SCHEMBL8920778

SCHEMBL8920778

Cc1ccc(C2CC(Br)C(=O)Nc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HTR7 P34969 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ TOP1 P11387 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL8400979 0.88 DDB1 (0.45) MAPTKDM4ETDP1DDB1CRBN
SCHEMBL8919304 0.86 HTR2A (0.40) HTR7TNKS2ALDH1A1MEN1KMT2A
SCHEMBL8398575 0.86 THRB (0.42) MAPTTDP1THRBALDH1A1L3MBTL1
SCHEMBL8924450 0.86 MAPT (0.42) MAPTTDP1HTR7TOP1
SCHEMBL8399414 0.84 ALDH1A1 (0.44) RAB9ATDP1DDB1CRBNTHRB
SCHEMBL8919347 0.84 MEN1 (0.44) MAPTDDB1CRBNALDH1A1MEN1
SCHEMBL8924355 0.80 SLC6A2 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8921450 0.77 LMNA (0.44) MAPTHTR7HTTLMNA
SCHEMBL8402167 0.77 DDB1 (0.47) MAPTKDM4ENPC1DDB1CRBN
SCHEMBL8922047 0.77 LMNA (0.41) MAPTTNKS2ALDH1A1MEN1KMT2A

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
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