SCHEMBL9117429

SCHEMBL9117429

CC(c1ccc(OCc2ccc(Cl)cc2)cc1)N(C)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.50
APP P05067 1/20 0.47
MAOA P21397 1/20 0.45
FFAR1 O14842 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NR4A2 P43354 1/20 0.43
ALOX5 P09917 1/20 0.41
FOXM1 Q08050 1/20 0.41

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
Oxalic Acid SCHEMBL9115001 0.93 MAOB (0.56) MAOBMAOAFFAR1MEN1POLB
SCHEMBL9116311 0.85 MAOB (0.46) MAOBAPPMAOAMEN1POLB
SCHEMBL9116935 0.79 MAOB (0.53) MAOBAPPMAOANR4A2FOXM1
SCHEMBL15132940 0.78 RXRA (0.64) MAOBAPPMAOAFFAR1MEN1
SCHEMBL10722524 0.78 RXRA (0.64) MAOBAPPMAOAFFAR1MEN1
SCHEMBL9116702 0.77 CARM1 (0.46) MAOBMEN1POLBKMT2ANPSR1
SCHEMBL11000264 0.74 MAOB (0.58) MAOBAPPMAOAFFAR1MEN1
Hydrochloric Acid SCHEMBL9734295 0.74 MAOB (0.57) MAOBAPPMAOAMEN1POLB
SCHEMBL14461695 0.73 MAOB (0.56) MAOBAPPMAOAFFAR1MEN1
SCHEMBL10991891 0.72 MAOB (0.80) MAOBAPPMAOAKMT2ANPSR1

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 disclosed
WO-1995006630-A1 BENZYLAMINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-09 WO disclosed