SCHEMBL13634243

SCHEMBL13634243

c1ccc(C(c2ccccc2)N2CC(COc3ncccn3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.41
SCN7A Q01118 1/20 0.41
SCN5A Q14524 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
P2RX7 Q99572 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL85215 0.78 OPRM1 (0.44) SCN9ASCN7ASCN5AOPRM1OPRD1
SCHEMBL16448465 0.77 OPRM1 (0.41) SCN9ASCN7ASCN5AOPRM1OPRD1
SCHEMBL3098890 0.76 RBP4 (0.54) SCN9ASCN7ASCN5AALDH1A1CYP2D6
SCHEMBL13073743 0.74 SLC6A9 (0.43) SCN9ASCN7ASCN5AOPRM1OPRD1
SCHEMBL16759363 0.73 SLC6A9 (0.46) OPRM1OPRD1ALDH1A1MEN1KMT2A
SCHEMBL72670 0.72 MEN1 (0.48) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL85392 0.72 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL84788 0.72 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL14141067 0.72 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL1122107 0.72 SCN9A (0.47) SCN9ASCN7ASCN5AOPRM1OPRD1

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed