SCHEMBL9116935

SCHEMBL9116935

CN(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.53
APP P05067 1/20 0.53
MAOA P21397 2/20 0.50
FOXM1 Q08050 1/20 0.48
NR4A2 P43354 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
DHFR P00374 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9115916 0.85 MAOB (0.50) MAOBAPPMAOANR4A2
SCHEMBL8985608 0.81 MAOB (0.51) MAOBAPPMAOAFOXM1NR4A2
SCHEMBL7316288 0.80 HRH3 (0.51) HRH3HRH4RAB9AALDH1A1
SCHEMBL9118058 0.79 CARM1 (0.60) MAPT
SCHEMBL9117429 0.79 MAOB (0.50) MAOBAPPMAOAFOXM1NR4A2
SCHEMBL16549263 0.79 HRH3 (0.74) HRH3HRH4ALDH1A1MAPT
SCHEMBL10991891 0.78 MAOB (0.80) MAOBAPPMAOANR4A2DHFR
Oxalic Acid SCHEMBL8985649 0.75 HRH3 (0.52) MAOBMAOANR4A2HRH3NPC1
SCHEMBL17285892 0.75 LSS (0.64) HRH3HRH4ALDH1A1
SCHEMBL7321429 0.75 HRH3 (0.50) HRH3HRH4RAB9AALDH1A1

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
EP-0666840-A1 BENZYLAMINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-08-16 EP claimed
WO-1995006630-A1 BENZYLAMINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-09 WO claimed