SCHEMBL28356392

SCHEMBL28356392

O=c1[nH]c2ccc(Oc3ccc(F)cc3)cc2n1CC1(O)COC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.42
▸ DAO P14920 2/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ HTR1A P08908 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ CALCRL Q16602 2/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ PGR P06401 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ S1PR2 O95136 1/20 0.32
▸ B3GNT2 Q9NY97 1/20 0.32
▸ PARG Q86W56 1/20 0.32

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
SCHEMBL28352780 0.89 MAOB (0.42) MAOBDAOCALCRLMMP13PGR
SCHEMBL28356605 0.89 OPRM1 (0.39) MAOBKCNH2
SCHEMBL28356460 0.82 MAOB (0.40) MAOBB3GNT2
SCHEMBL24117151 0.80 OPRM1 (0.39) KCNH2
SCHEMBL28352781 0.79 SCN9A (0.50) MAOB
SCHEMBL28356584 0.78 TRIM24 (0.38) S1PR2PARG
SCHEMBL24117016 0.72 AURKA (0.38) DAOPGRPARG
SCHEMBL20278180 0.71 CYP2D6 (0.41) KCNH2S1PR2
SCHEMBL24116800 0.71 MAOB (0.46) MAOBHSD17B10
SCHEMBL18638354 0.69 PDE4A (0.33) MMP13S1PR2

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-110612290-A Novel benzimidazolone compounds and medicinal use thereof 大日本住友制药株式会社 2019-12-24 — — CN claimed
CN-110612290-A Novel benzimidazolone compounds and medicinal use thereof 大日本住友制药株式会社 2019-12-24 — — CN disclosed
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