SCHEMBL6969717

SCHEMBL6969717

O=C(c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1)N1CCCCC1CO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.39
OPRK1 P41145 7/20 0.39
SPHK2 Q9NRA0 1/20 0.37
VNN1 O95497 2/20 0.36
POLB P06746 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35

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
SCHEMBL6974363 0.86 HTR1A (0.41) OPRD1OPRK1SPHK2VNN1POLB
SCHEMBL6970176 0.85 OPRD1 (0.45) OPRD1OPRK1
SCHEMBL6968136 0.84 OPRD1 (0.44) OPRD1OPRK1
SCHEMBL6980054 0.84 OPRD1 (0.40) OPRD1OPRK1CNR1CNR2
SCHEMBL6972306 0.83 CYP2D6 (0.39) OPRD1OPRK1VNN1
SCHEMBL6965660 0.83 CHRM4 (0.43) OPRD1OPRK1
SCHEMBL6972934 0.82 PKM (0.45) OPRD1OPRK1
SCHEMBL6977389 0.81 OPRD1 (0.44) OPRD1OPRK1
SCHEMBL6973203 0.81 CYP11B2 (0.42) OPRD1OPRK1
SCHEMBL6965179 0.79 OPRD1 (0.50) OPRD1OPRK1

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