SCHEMBL14026727

SCHEMBL14026727

NC(=O)c1ccc(Oc2ccc(CNC3CCCCC3)c3ccccc23)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.44
OPRM1 P35372 7/20 0.44
OPRD1 P41143 6/20 0.44
KCNH2 Q12809 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
ROCK1 Q13464 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CXCR4 P61073 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.38
NNMT P40261 1/20 0.38

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
SCHEMBL2987665 0.94 OPRM1 (0.42) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2980170 0.91 OPRM1 (0.44) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2990445 0.90 OPRK1 (0.43) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2987566 0.90 OPRK1 (0.43) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2990447 0.90 OPRK1 (0.43) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2990244 0.90 OPRK1 (0.43) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL14026651 0.90 OPRK1 (0.43) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2992902 0.90 OPRK1 (0.41) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2992073 0.89 OPRM1 (0.44) OPRK1OPRM1OPRD1KCNH2GRIN2D
SCHEMBL2990096 0.89 OPRK1 (0.42) OPRK1OPRM1OPRD1KCNH2GRIN2D

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
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed