SCHEMBL10778491

SCHEMBL10778491

Cc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1C1(c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2C)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
NR3C1 P04150 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TSHR P16473 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
S1PR1 P21453 5/20 0.37
CNR2 P34972 1/20 0.36
QPCT Q16769 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL10776342 0.76 CYP2C19 (0.51) CYP2C19NR3C1TSHRNR1H2NR1H3
SCHEMBL10779732 0.76 ESR1 (0.42) CRHBPCRHR2TSHRKMT2AMEN1
SCHEMBL10779784 0.72 ESR1 (0.36) TSHRKMT2ALMNAOPRM1
SCHEMBL28079852 0.71 CYP2C19 (0.58) CYP2C19NR3C1CRHBPCRHR2TSHR
SCHEMBL10781342 0.71 CYP2C19 (0.58) CYP2C19NR3C1CRHBPCRHR2TSHR
SCHEMBL8184515 0.69 CYP2C19 (0.44) CYP2C19NR3C1CRHBPCRHR2TSHR
SCHEMBL10779813 0.69 CYP2C19 (0.54) CYP2C19NR3C1CRHBPCRHR2TSHR
SCHEMBL9629634 0.69 CYP2C19 (0.54) CYP2C19NR3C1CRHBPCRHR2TSHR
SCHEMBL10779688 0.69 CYP2C19 (0.54) CYP2C19NR3C1CRHBPCRHR2TSHR
SCHEMBL6013668 0.69 CYP2C19 (0.54) CYP2C19NR3C1CRHBPCRHR2TSHR

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 5 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
US-4431722-A POLYCYCLIC QUINONE PIGMENT DISPERSED IN A RESIN BINDER AS CHARGE GENERATING LAYER; ANTIFOGGING AGENTS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-02-14 US disclosed
US-4302521-A TRANSPORT PHASE OF A P-TYPE ORGANIC SEMICONDUCTOR, POLYVINYLCARBAZOLE, A LEWIS AND A BRONSTED ACID; CHARGE TRANSFER COMPOUNDS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-11-24 US disclosed