SCHEMBL27643671

SCHEMBL27643671

CC(C)(CCc1cccc(Br)c1)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.46
▸ PARP15 Q460N3 3/20 0.44
▸ PARP10 Q53GL7 2/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ RIPK1 Q13546 1/20 0.43
▸ IDO1 P14902 2/20 0.41
▸ AGXT P21549 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL27987390 0.86 GRM2 (0.37) —
SCHEMBL27621459 0.86 GRM2 (0.37) —
SCHEMBL27541465 0.85 PARP15 (0.46) TAAR1PARP15PARP10PARP14RIPK1
SCHEMBL27729878 0.84 LOXL2 (0.44) —
SCHEMBL27811501 0.84 REN (0.40) —
SCHEMBL3068348 0.84 GRM2 (0.47) MAOBPARP1
SCHEMBL27831468 0.83 GRM2 (0.37) —
SCHEMBL27627069 0.83 TAAR1 (0.46) TAAR1PARP10RIPK1IDO1AGXT
SCHEMBL27627078 0.83 HTR3E (0.48) TAAR1RIPK1IDO1AGXT
SCHEMBL27532961 0.82 TAAR1 (0.40) TAAR1FFAR1FFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100513398-C 2- (2-hydroxybiphenyl-3-yl) -1H-benzimidazole-5-carboxamidine derivatives as factor VIIA inhibitors AXYS PHARM INC (US) 2009-07-15 — — CN disclosed
CN-1745070-A 2- (2-hydroxybiphenyl-3-yl) -1H-benzimidazole-5-carboxamidine derivatives as factor VIIA inhibitors AXYS PHARM INC (US) 2006-03-08 — — CN disclosed
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