SCHEMBL6967490

SCHEMBL6967490

CNC(=O)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.41
OPRK1 P41145 11/20 0.41
OPRL1 P41146 1/20 0.40
CCR3 P51677 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MGLL Q99685 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
SCHEMBL6972934 0.89 PKM (0.45) OPRD1OPRK1CCR3OPRM1DRD2
SCHEMBL6981816 0.89 OPRD1 (0.48) OPRD1OPRK1OPRL1CCR3ADRA2A
SCHEMBL6974750 0.88 OPRD1 (0.40) OPRD1OPRK1OPRL1CCR3ADRA2A
SCHEMBL6979449 0.88 OPRD1 (0.41) OPRD1OPRK1OPRL1CCR3ADRA2A
SCHEMBL6975845 0.88 ADRA1A (0.42) OPRD1OPRK1OPRL1CCR3ADRA2A
SCHEMBL6977389 0.88 OPRD1 (0.44) OPRD1OPRK1OPRL1CCR3OPRM1
SCHEMBL6974540 0.88 OPRD1 (0.40) OPRD1OPRK1OPRL1CCR3ADRA2A
SCHEMBL6979779 0.88 ADRA1A (0.41) OPRD1OPRK1OPRL1CCR3ADRA2A
SCHEMBL6970452 0.87 OPRD1 (0.40) OPRD1OPRK1OPRL1CCR3ADRA2A
SCHEMBL6981273 0.87 OPRD1 (0.40) OPRD1OPRK1OPRL1CCR3ADRA2A

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 8 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
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO disclosed