SCHEMBL6974993

SCHEMBL6974993

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.41
OPRD1 P41143 16/20 0.41
OPRK1 P41145 12/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6980433 0.93 OPRD1 (0.42) CCR3OPRD1OPRK1OPRM1OPRL1
SCHEMBL6969796 0.90 OPRD1 (0.42) CCR3OPRD1OPRK1OPRM1OPRL1
SCHEMBL6978640 0.90 OPRD1 (0.40) CCR3OPRD1OPRK1OPRM1OPRL1
SCHEMBL6967337 0.88 OPRD1 (0.39) CCR3OPRD1OPRK1OPRM1OPRL1
SCHEMBL6969075 0.87 OPRD1 (0.38) CCR3OPRD1OPRK1OPRM1OPRL1
SCHEMBL6981032 0.86 OPRD1 (0.38) CCR3OPRD1OPRK1OPRM1OPRL1
SCHEMBL6973626 0.86 OPRD1 (0.40) OPRD1OPRK1OPRM1OPRL1ALDH1A1
SCHEMBL6980095 0.86 OPRD1 (0.38) OPRD1OPRK1OPRM1OPRL1ALDH1A1
SCHEMBL6971228 0.86 ADRA1A (0.44) OPRD1OPRK1OPRM1OPRL1
SCHEMBL6980217 0.86 ACHE (0.43) CCR3OPRD1ALDH1A1GAA

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