SCHEMBL6981280

SCHEMBL6981280

CC(CC(=O)O)NC(=O)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.40
OPRK1 P41145 11/20 0.40
PPARG P37231 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CCR3 P51677 1/20 0.36

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
SCHEMBL6970452 0.92 OPRD1 (0.40) OPRD1OPRK1PPARGOPRL1ALDH1A1
SCHEMBL6979449 0.90 OPRD1 (0.41) OPRD1OPRK1PPARGOPRL1ALDH1A1
SCHEMBL6971179 0.87 OPRD1 (0.38) OPRD1OPRK1PPARGOPRL1ADRA2A
SCHEMBL6967490 0.87 OPRD1 (0.41) OPRD1OPRK1OPRL1ADRA2AADRA2B
SCHEMBL6969441 0.86 PPARG (0.40) OPRD1OPRK1PPARGOPRL1ALDH1A1
SCHEMBL6981273 0.85 OPRD1 (0.40) OPRD1OPRK1OPRL1ALDH1A1CYP2D6
SCHEMBL6974540 0.84 OPRD1 (0.40) OPRD1OPRK1OPRL1ADRA2AADRA2B
SCHEMBL6975294 0.84 ADRA1A (0.47) OPRD1OPRK1OPRL1ADRA2AADRA2B
SCHEMBL6972078 0.84 OPRL1 (0.45) OPRD1OPRK1OPRL1ADRA2AADRA2B
SCHEMBL6972934 0.84 PKM (0.45) OPRD1OPRK1CCR3

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
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP claimed