SCHEMBL6972934

SCHEMBL6972934

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
CCR3 P51677 1/20 0.44
OPRD1 P41143 14/20 0.43
OPRK1 P41145 9/20 0.43
SIGMAR1 Q99720 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL6977389 0.93 OPRD1 (0.44) PKMGAATSHRCCR3OPRD1
SCHEMBL6970176 0.89 OPRD1 (0.45) CCR3OPRD1OPRK1
SCHEMBL6981816 0.89 OPRD1 (0.48) GAACCR3OPRD1OPRK1OPRM1
SCHEMBL6967490 0.89 OPRD1 (0.41) CCR3OPRD1OPRK1OPRM1DRD2
SCHEMBL6971806 0.89 OPRD1 (0.42) TSHRCCR3OPRD1OPRK1SIGMAR1
SCHEMBL6968136 0.88 OPRD1 (0.44) TSHRCCR3OPRD1OPRK1
SCHEMBL6979779 0.86 ADRA1A (0.41) CCR3OPRD1OPRK1
SCHEMBL6967499 0.86 CHRM2 (0.45) PKMGAAOPRD1OPRK1
SCHEMBL6965179 0.86 OPRD1 (0.50) OPRD1OPRK1OPRM1
SCHEMBL6974540 0.86 OPRD1 (0.40) CCR3OPRD1OPRK1

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