SCHEMBL10776396

SCHEMBL10776396

CCCCCC(c1ccccc1C)c1ccccc1C.c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
MAOA P21397 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CSNK1E P49674 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM2 P08172 1/20 0.39
TLR2 O60603 1/20 0.38
CYP19A1 P11511 1/20 0.38
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10779699 0.98 EPHX2 (0.42) SCN8ASIGMAR1CNR2EPHX2TP53
SCHEMBL10781410 0.95 SCN8A (0.43) SCN8ASIGMAR1CNR2EPHX2TP53
SCHEMBL10775318 0.89 TP53 (0.42) SCN8ATP53THRBMAOASMN1; SMN2
SCHEMBL10775698 0.85 MAPT (0.39) SIGMAR1CNR2EPHX2MAOACSNK1E
Diethylamine SCHEMBL2382514 0.84 CYSLTR2 (0.40) SIGMAR1CNR2CSNK1EMEN1KMT2A
Dimethylamine SCHEMBL963016 0.84 CYSLTR2 (0.41) CNR2CSNK1EMEN1KMT2ACYP19A1
SCHEMBL10781443 0.82 MEN1 (0.45) SCN8ASIGMAR1TP53THRBMAOA
SCHEMBL10951466 0.81 SIGMAR1 (0.54) SIGMAR1CNR2EPHX2MAOAMEN1
Dodecane SCHEMBL27793162 0.78 MAOA (0.61) SIGMAR1EPHX2MAOASMN1; SMN2HRH4
SCHEMBL5271975 0.78 CYP19A1 (0.52) SIGMAR1CSNK1EMEN1KMT2ACYP19A1

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-0115198-B1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTIVE ELEMENTS TOMOEGAWA PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-03-11 EP disclosed
US-4539282-A SENSITIZED ZINC OXIDE, POLYCARBONATE BINDER AND AROMATIC DIAMINE TOMOEGAWA PAPER MANUFACTURING COMPANY LIMITED (JP) 1985-09-03 US disclosed