SCHEMBL10776342

SCHEMBL10776342

c1ccc(CN(Cc2ccccc2)c2ccc(C3(c4ccc(N(Cc5ccccc5)Cc5ccccc5)cc4)CCCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
TSHR P16473 3/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 2/20 0.42
OPRM1 P35372 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PDE6A P16499 1/20 0.42
ADRA2C P18825 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL3235304 0.78 CYP2C19 (0.53) CYP2C19TSHRNR1H2NR1H3CYP2D6
SCHEMBL23837158 0.78 ALDH1A1 (0.41) CYP2C19TSHRESR1ESR2ALDH1A1
SCHEMBL2960872 0.78 CYP2C19 (0.78) CYP2C19TSHRNR1H2NR1H3ALDH1A1
SCHEMBL400884 0.77 ESR1 (0.50) CYP2C19ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL14018355 0.77 ESR1 (0.50) CYP2C19ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL2324699 0.76 CYP2C19 (0.51) CYP2C19TSHRNR1H2NR1H3ALDH1A1
SCHEMBL10778491 0.76 CYP2C19 (0.47) CYP2C19TSHRNR1H2NR1H3CYP2D6
SCHEMBL9718482 0.75 ALDH1A1 (0.48) TSHRESR1ESR2ALDH1A1L3MBTL1
SCHEMBL13030476 0.74 ESR1 (0.41) CYP2C19ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL2327182 0.74 CYP2C19 (0.45) CYP2C19TSHRNR1H2NR1H3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111129331-B Light-emitting device structure, light-emitting device structure manufacturing method and display panel TCL华星光电技术有限公司 2022-07-26 CN disclosed
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