SCHEMBL6979664

SCHEMBL6979664

O=C(NCC(O)CO)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.37
OPRK1 P41145 14/20 0.37
CCR3 P51677 1/20 0.36
OPRL1 P41146 1/20 0.35
CHRM4 P08173 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
OPRM1 P35372 1/20 0.34

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
SCHEMBL6967337 0.89 OPRD1 (0.39) OPRD1OPRK1CCR3OPRL1CHRM4
SCHEMBL6981032 0.88 OPRD1 (0.38) OPRD1OPRK1CCR3OPRL1OPRM1
SCHEMBL6969075 0.87 OPRD1 (0.38) OPRD1OPRK1CCR3OPRL1ADRA2A
SCHEMBL6974842 0.86 OPRD1 (0.39) OPRD1OPRK1OPRL1OPRM1
SCHEMBL6973626 0.86 OPRD1 (0.40) OPRD1OPRK1OPRL1CHRM4ADRA2A
SCHEMBL6973191 0.86 OPRD1 (0.39) OPRD1OPRK1CCR3OPRL1CHRM4
SCHEMBL6969796 0.86 OPRD1 (0.42) OPRD1OPRK1CCR3OPRL1OPRM1
SCHEMBL6980365 0.85 OPRL1 (0.37) OPRD1OPRK1CCR3OPRL1CHRM4
SCHEMBL6971228 0.85 ADRA1A (0.44) OPRD1OPRK1OPRL1ADRA2AADRA2B
SCHEMBL6980217 0.85 ACHE (0.43) OPRD1CCR3ADRA2AADRA2BADRA2C

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