SCHEMBL6969441

SCHEMBL6969441

CCC(CO)NC(=O)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
OPRD1 P41143 16/20 0.38
OPRK1 P41145 12/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 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
SCHEMBL6971179 0.95 OPRD1 (0.38) PPARGOPRD1OPRK1OPRL1ADRA2A
SCHEMBL6970452 0.90 OPRD1 (0.40) PPARGOPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6979449 0.87 OPRD1 (0.41) PPARGOPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6967490 0.86 OPRD1 (0.41) OPRD1OPRK1OPRM1OPRL1ADRA2A
SCHEMBL6981280 0.86 OPRD1 (0.40) PPARGOPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6973191 0.84 OPRD1 (0.39) OPRD1OPRK1OPRL1ADRA2AADRA2B
SCHEMBL6979779 0.84 ADRA1A (0.41) OPRD1OPRK1OPRL1ADRA2AADRA2B
SCHEMBL6969999 0.83 OPRD1 (0.40) OPRD1OPRK1OPRM1OPRL1ADRA2A
SCHEMBL6981273 0.83 OPRD1 (0.40) OPRD1OPRK1OPRL1ALDH1A1ADRA2A
SCHEMBL6972934 0.83 PKM (0.45) OPRD1OPRK1OPRM1GAA

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