SCHEMBL6972306

SCHEMBL6972306

O=C(c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1)N1CCCC(CO)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
CHRM4 P08173 1/20 0.38
OPRD1 P41143 8/20 0.38
HSD11B1 P28845 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
OPRK1 P41145 6/20 0.37
VNN1 O95497 1/20 0.37
EPHX2 P34913 2/20 0.36
CCR3 P51677 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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 0.88 OPRD1 (0.45) OPRD1HSD11B1OPRK1CCR3
SCHEMBL6968136 0.87 OPRD1 (0.44) OPRD1HSD11B1OPRK1CCR3
SCHEMBL6973203 0.87 CYP11B2 (0.42) CHRM4OPRD1OPRK1CCR3
SCHEMBL6965660 0.85 CHRM4 (0.43) CHRM4OPRD1OPRK1
SCHEMBL6976119 0.85 ALDH1A1 (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6969717 0.83 OPRD1 (0.39) OPRD1OPRK1VNN1
SCHEMBL6965179 0.82 OPRD1 (0.50) CYP2D6OPRD1OPRK1
SCHEMBL6967499 0.82 CHRM2 (0.45) OPRD1OPRK1ALDH1A1GAAMAPT
SCHEMBL6974363 0.82 HTR1A (0.41) OPRD1HSD11B1OPRK1VNN1CCR3
SCHEMBL6972934 0.81 PKM (0.45) OPRD1OPRK1CCR3GAA

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