SCHEMBL6974842

SCHEMBL6974842

CC(CO)NC(=O)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.39
OPRK1 P41145 13/20 0.39
OPRL1 P41146 1/20 0.38
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6981032 0.92 OPRD1 (0.38) OPRD1OPRK1OPRL1OPRM1
SCHEMBL6969796 0.88 OPRD1 (0.42) OPRD1OPRK1OPRL1OPRM1ALDH1A1
SCHEMBL6967337 0.86 OPRD1 (0.39) OPRD1OPRK1OPRL1OPRM1
SCHEMBL6979664 0.86 OPRD1 (0.37) OPRD1OPRK1OPRL1OPRM1
SCHEMBL6970452 0.86 OPRD1 (0.40) OPRD1OPRK1OPRL1ALDH1A1CYP2D6
SCHEMBL6974993 0.85 CCR3 (0.41) OPRD1OPRK1OPRL1OPRM1ALDH1A1
SCHEMBL6973626 0.85 OPRD1 (0.40) OPRD1OPRK1OPRL1OPRM1ALDH1A1
SCHEMBL6971228 0.84 ADRA1A (0.44) OPRD1OPRK1OPRL1OPRM1
SCHEMBL6980433 0.84 OPRD1 (0.42) OPRD1OPRK1OPRL1OPRM1ALDH1A1
SCHEMBL6969075 0.84 OPRD1 (0.38) OPRD1OPRK1OPRL1OPRM1

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