SCHEMBL10042897

SCHEMBL10042897

CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.55
HSD11B1 P28845 2/20 0.49
KCNH2 Q12809 2/20 0.46
DRD3 P35462 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL12831536 1.00 CNR2 (0.55) CNR2HSD11B1KCNH2DRD3CA1
SCHEMBL13197732 1.00 CNR2 (0.55) CNR2HSD11B1KCNH2DRD3CA1
SCHEMBL12601042 0.95 HSD11B1 (0.53) CNR2HSD11B1KCNH2DRD3CA1
SCHEMBL12669131 0.95 HSD11B1 (0.53) CNR2HSD11B1KCNH2DRD3CA1
SCHEMBL12110487 0.95 HSD11B1 (0.53) CNR2HSD11B1KCNH2DRD3CA1
SCHEMBL10042887 0.95 HSD11B1 (0.53) CNR2HSD11B1KCNH2DRD3CA1
SCHEMBL18884737 0.95 HSD11B1 (0.53) CNR2HSD11B1KCNH2DRD3CA1
SCHEMBL12313748 0.93 KCNH2 (0.52) HSD11B1KCNH2DRD3CA1CA2
SCHEMBL12313741 0.93 CA2 (0.52) CNR2KCNH2CA1CA2CHRM2
SCHEMBL1170313 0.93 KCNH2 (0.52) HSD11B1KCNH2DRD3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120037889-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE AND ILLUMINATION DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2012-02-16 US disclosed