SCHEMBL6981273

SCHEMBL6981273

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.40
OPRK1 P41145 10/20 0.40
ADRA1A P35348 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
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
SCHEMBL6973191 0.89 OPRD1 (0.39) OPRD1OPRK1ADRA1AADRA2AADRA2B
SCHEMBL6979449 0.89 OPRD1 (0.41) OPRD1OPRK1ADRA1AADRA2AADRA2B
SCHEMBL6967490 0.87 OPRD1 (0.41) OPRD1OPRK1ADRA1AADRA2AADRA2B
SCHEMBL6975845 0.87 ADRA1A (0.42) OPRD1OPRK1ADRA1AADRA2AADRA2B
SCHEMBL6974750 0.87 OPRD1 (0.40) OPRD1OPRK1ADRA1AADRA2AADRA2B
SCHEMBL6974540 0.87 OPRD1 (0.40) OPRD1OPRK1ADRA1AADRA2AADRA2B
SCHEMBL6979779 0.87 ADRA1A (0.41) OPRD1OPRK1ADRA1AADRA2AADRA2B
SCHEMBL6970452 0.86 OPRD1 (0.40) OPRD1OPRK1ADRA1AADRA2AADRA2B
SCHEMBL6975294 0.86 ADRA1A (0.47) OPRD1OPRK1ADRA1AADRA2AADRA2B
SCHEMBL6972078 0.86 OPRL1 (0.45) OPRD1OPRK1ADRA1AADRA2AADRA2B

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