SCHEMBL6971179

SCHEMBL6971179

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.38
OPRK1 P41145 11/20 0.38
CCR3 P51677 1/20 0.38
PPARG P37231 1/20 0.37
OPRL1 P41146 1/20 0.36
PRCP P42785 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
SCHEMBL6969441 0.95 PPARG (0.40) OPRD1OPRK1PPARGOPRL1ADRA2A
SCHEMBL6970452 0.91 OPRD1 (0.40) OPRD1OPRK1CCR3PPARGOPRL1
SCHEMBL6979449 0.89 OPRD1 (0.41) OPRD1OPRK1CCR3PPARGOPRL1
SCHEMBL6967490 0.87 OPRD1 (0.41) OPRD1OPRK1CCR3OPRL1ADRA2A
SCHEMBL6973191 0.87 OPRD1 (0.39) OPRD1OPRK1CCR3OPRL1PRCP
SCHEMBL6981280 0.87 OPRD1 (0.40) OPRD1OPRK1CCR3PPARGOPRL1
SCHEMBL6979779 0.86 ADRA1A (0.41) OPRD1OPRK1CCR3OPRL1ADRA2A
SCHEMBL6972934 0.86 PKM (0.45) OPRD1OPRK1CCR3
SCHEMBL6981032 0.85 OPRD1 (0.38) OPRD1OPRK1CCR3OPRL1
SCHEMBL6977389 0.85 OPRD1 (0.44) OPRD1OPRK1CCR3OPRL1

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