SCHEMBL6973203

SCHEMBL6973203

O=C(c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1)N1CCC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.42
OPRD1 P41143 11/20 0.40
OPRK1 P41145 6/20 0.39
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
CHRM4 P08173 1/20 0.37
CCR3 P51677 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
SCHEMBL6970176 0.87 OPRD1 (0.45) OPRD1OPRK1CHRM2CHRM3CCR3
SCHEMBL6972306 0.87 CYP2D6 (0.39) OPRD1OPRK1CHRM4CCR3
SCHEMBL6968136 0.87 OPRD1 (0.44) OPRD1OPRK1CHRM2CHRM3CCR3
SCHEMBL6965660 0.86 CHRM4 (0.43) OPRD1OPRK1CHRM2CHRM3CHRM4
SCHEMBL6967499 0.85 CHRM2 (0.45) OPRD1OPRK1CHRM2CHRM3
SCHEMBL6965179 0.85 OPRD1 (0.50) OPRD1OPRK1KMT2ACHRM2CHRM3
SCHEMBL6972934 0.84 PKM (0.45) OPRD1OPRK1CCR3
SCHEMBL6974605 0.84 OPRD1 (0.44) OPRD1OPRK1
SCHEMBL6970267 0.84 POLB (0.46) OPRD1OPRK1KMT2A
SCHEMBL6977389 0.83 OPRD1 (0.44) 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