SCHEMBL8985605

SCHEMBL8985605

Clc1ccc(COc2cccc(CNCC3CC3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
BCHE P06276 6/20 0.56
CXCR4 P61073 1/20 0.53
NR4A2 P43354 1/20 0.50
SPHK2 Q9NRA0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
TP53 P04637 1/20 0.48
SMPD1 P17405 1/20 0.47

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
SCHEMBL20314086 0.92 PRMT5 (0.57) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL9117138 0.90 BCHE (0.52) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL20314089 0.89 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL8985561 0.87 SMN1; SMN2 (0.62) MEN1KMT2ASMN1; SMN2BCHENR4A2
SCHEMBL8985574 0.87 KDM1A (0.57) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL20314091 0.87 MEN1 (0.57) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL8985630 0.82 TP53 (0.58) MEN1KMT2ABCHECXCR4NR4A2
SCHEMBL21634323 0.82 MEN1 (0.65) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL20314088 0.81 BCHE (0.62) MEN1KMT2AMAPK1BCHESPHK2
SCHEMBL20325087 0.80 BCHE (0.53) MEN1KMT2ASMN1; SMN2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550292-A ANXIOLYTIC AND ANTIDEPRESSANT AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
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