SCHEMBL9116311

SCHEMBL9116311

CC(c1cccc(OCc2ccc(Cl)cc2)c1)N(C)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
MAOA P21397 3/20 0.46
SPHK1 Q9NYA1 2/20 0.46
NR4A2 P43354 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44
ACACA Q13085 1/20 0.41
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
HPD P32754 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMPD1 P17405 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
APP P05067 1/20 0.40
ADAM17 P78536 1/20 0.39
ALOX5 P09917 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
SCHEMBL9117429 0.85 MAOB (0.50) MAOBMAOANR4A2MEN1MAPK1
Oxalic Acid SCHEMBL9115001 0.79 MAOB (0.56) MAOBMAOANR4A2MEN1MAPK1
SCHEMBL9115916 0.78 MAOB (0.50) MAOBMAOASPHK1NR4A2SPHK2
SCHEMBL9116702 0.76 CARM1 (0.46) MAOBMEN1KMT2APOLBNPSR1
SCHEMBL3418111 0.72 BCHE (0.56) MAOBMEN1KMT2ASMN1; SMN2ALOX5
SCHEMBL13138365 0.71 MAOA (0.48) MAOBMAOANR4A2ACACAMEN1
SCHEMBL8985602 0.70 MEN1 (0.48) MAOBMAOASPHK1NR4A2SPHK2
Hydrochloric Acid SCHEMBL8985560 0.70 MEN1 (0.48) MAOBMAOASPHK1NR4A2SPHK2
SCHEMBL9116935 0.70 MAOB (0.53) MAOBMAOANR4A2APP
SCHEMBL18745406 0.69 MAOB (0.52) MAOBMAOANR4A2ACACAMEN1

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