SCHEMBL6979449

SCHEMBL6979449

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.41
OPRK1 P41145 9/20 0.41
PPARG P37231 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
OPRL1 P41146 1/20 0.38
CCR3 P51677 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
SDCBP O00560 1/20 0.36
SDC2 P34741 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 0.90 OPRD1 (0.40) OPRD1OPRK1PPARGALDH1A1CYP2D6
SCHEMBL6981280 0.90 OPRD1 (0.40) OPRD1OPRK1PPARGALDH1A1CYP2D6
SCHEMBL6981273 0.89 OPRD1 (0.40) OPRD1OPRK1ALDH1A1CYP2D6OPRL1
SCHEMBL6971179 0.89 OPRD1 (0.38) OPRD1OPRK1PPARGOPRL1CCR3
SCHEMBL6967490 0.88 OPRD1 (0.41) OPRD1OPRK1OPRL1CCR3ADRA2A
SCHEMBL6969441 0.87 PPARG (0.40) OPRD1OPRK1PPARGALDH1A1OPRL1
SCHEMBL6972934 0.85 PKM (0.45) OPRD1OPRK1CCR3
SCHEMBL6981816 0.84 OPRD1 (0.48) OPRD1OPRK1ALDH1A1OPRL1CCR3
SCHEMBL6974750 0.84 OPRD1 (0.40) OPRD1OPRK1OPRL1CCR3ADRA2A
SCHEMBL6975845 0.84 ADRA1A (0.42) OPRD1OPRK1OPRL1CCR3ADRA2A

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