SCHEMBL10778591

SCHEMBL10778591

CCCCCCCCCCCC(c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.51
▸ TSHR P16473 1/20 0.49
▸ CNR2 P34972 8/20 0.46
▸ SIGMAR1 Q99720 2/20 0.45
▸ NR1H2 P55055 3/20 0.45
▸ NR1H3 Q13133 3/20 0.45
▸ HTR2A P28223 2/20 0.43
▸ CSNK1E P49674 1/20 0.42
▸ CNR1 P21554 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL10951456 0.98 CYP2C19 (0.53) CYP2C19TSHRCNR2SIGMAR1NR1H2
SCHEMBL10775309 0.94 CYP2C19 (0.54) CYP2C19TSHRCNR2SIGMAR1NR1H2
SCHEMBL9619470 0.87 CYP2C19 (0.58) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL10776429 0.82 CNR2 (0.52) TSHRCNR2SIGMAR1
SCHEMBL51810 0.80 CYP2C19 (0.61) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL27702362 0.80 SIGMAR1 (0.53) CYP2C19CNR2SIGMAR1HTR2ACSNK1E
SCHEMBL10779695 0.80 CYP2C19 (0.46) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL9750099 0.78 CYP2C19 (0.47) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL10776390 0.78 CYP2C19 (0.47) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL9401973 0.78 SIGMAR1 (0.62) SIGMAR1HTR2ACSNK1EHRH1

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
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
EP-0115198-A1 Electrophotographic photoconductive elements TOMOEGAWA PAPER MANUFACTURING COMPANY LIMITED (JP) 1984-08-08 — — EP disclosed
Send feedback