SCHEMBL10144381

SCHEMBL10144381

Cc1c[nH]c(CCCc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP2D6 P10635 1/20 0.41
GRM5 P41594 1/20 0.41
HTR2A P28223 1/20 0.40
GSK3B P49841 1/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
COMT P21964 1/20 0.39
P2RX7 Q99572 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
SCHEMBL8958095 0.89 RAB9A (0.46) DAOHRH3GRM5
SCHEMBL316101 0.82 TAAR1 (0.48) DAOHRH3
SCHEMBL3854106 0.81 SIGMAR1 (0.55) TDP1
SCHEMBL4822610 0.78 GSK3B (0.51) DAOHRH3NOS3NOS1NOS2
SCHEMBL11289048 0.77 TAAR1 (0.39)
Ammonia Solution, Strong SCHEMBL27564877 0.77 GSK3B (0.50) DAOHRH3NOS3NOS1NOS2
SCHEMBL2037718 0.76 HRH3 (0.42) HRH3NOS2
SCHEMBL9030941 0.76 HRH3 (0.55) HRH3
SCHEMBL24105171 0.75 TSHR (0.50) HRH3TDP1L3MBTL1
Hydrochloric Acid SCHEMBL14743464 0.74 HRH3 (0.41) HRH3NOS2GSK3B

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
US-20120049167-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20120049167-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed