SCHEMBL6967499

SCHEMBL6967499

O=C(c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.45
CHRM3 P20309 4/20 0.45
AKR1C3 P42330 1/20 0.44
OPRD1 P41143 6/20 0.43
OPRK1 P41145 5/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
PHGDH O43175 1/20 0.39

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 0.92 OPRD1 (0.45) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6968136 0.91 OPRD1 (0.44) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6965179 0.89 OPRD1 (0.50) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6974605 0.88 OPRD1 (0.44) OPRD1OPRK1ALDH1A1GAA
SCHEMBL7520705 0.87 CHRM2 (0.43) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6972934 0.86 PKM (0.45) OPRD1OPRK1PKMGAA
SCHEMBL6977389 0.86 OPRD1 (0.44) OPRD1OPRK1PKMGAA
SCHEMBL6965660 0.85 CHRM4 (0.43) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6973203 0.85 CYP11B2 (0.42) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6969698 0.85 ALDH1A1 (0.51) ALDH1A1MAPT

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