SCHEMBL6975764

SCHEMBL6975764

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
OPRD1 P41143 13/20 0.40
OPRK1 P41145 9/20 0.40
HRH3 Q9Y5N1 1/20 0.38
DRD4 P21917 2/20 0.38
MCHR1 Q99705 1/20 0.38
CCR3 P51677 1/20 0.37
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL6975114 0.90 OPRD1 (0.44) OPRD1OPRK1OPRM1ALDH1A1
SCHEMBL6971806 0.90 OPRD1 (0.42) OPRD1OPRK1DRD4CCR3OPRM1
SCHEMBL6970257 0.88 OPRD1 (0.41) OPRD1OPRK1OPRM1ALDH1A1
SCHEMBL6980095 0.85 OPRD1 (0.38) CYP11B2OPRD1OPRK1HRH3DRD4
SCHEMBL6972934 0.85 PKM (0.45) OPRD1OPRK1DRD4CCR3OPRM1
SCHEMBL6977389 0.84 OPRD1 (0.44) OPRD1OPRK1CCR3OPRM1
SCHEMBL6981816 0.83 OPRD1 (0.48) OPRD1OPRK1CCR3OPRM1ALDH1A1
SCHEMBL6967490 0.83 OPRD1 (0.41) OPRD1OPRK1DRD4CCR3OPRM1
SCHEMBL6979779 0.82 ADRA1A (0.41) OPRD1OPRK1CCR3
SCHEMBL6970176 0.81 OPRD1 (0.45) OPRD1OPRK1CCR3

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 4 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
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