SCHEMBL6965660

SCHEMBL6965660

O=C(c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1)N1CCC(CCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.43
OPRD1 P41143 12/20 0.40
OPRK1 P41145 7/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CHRM2 P08172 1/20 0.36
CHRM3 P20309 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
SCHEMBL6970176 0.88 OPRD1 (0.45) OPRD1OPRK1CHRM2CHRM3
SCHEMBL6968136 0.87 OPRD1 (0.44) OPRD1OPRK1CHRM2CHRM3
SCHEMBL6973203 0.86 CYP11B2 (0.42) CHRM4OPRD1OPRK1CHRM2CHRM3
SCHEMBL6967499 0.85 CHRM2 (0.45) OPRD1OPRK1CHRM2CHRM3
SCHEMBL6965179 0.85 OPRD1 (0.50) OPRD1OPRK1CHRM2CHRM3
SCHEMBL6972306 0.85 CYP2D6 (0.39) CHRM4OPRD1OPRK1
SCHEMBL6974605 0.84 OPRD1 (0.44) OPRD1OPRK1
SCHEMBL6970267 0.84 POLB (0.46) OPRD1OPRK1
SCHEMBL6972934 0.83 PKM (0.45) OPRD1OPRK1
SCHEMBL6969717 0.83 OPRD1 (0.39) OPRD1OPRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US claimed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP claimed
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP claimed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO claimed
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US disclosed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP disclosed