SCHEMBL6971806

SCHEMBL6971806

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.42
OPRK1 P41145 10/20 0.42
DRD4 P21917 4/20 0.41
CCR3 P51677 1/20 0.40
OPRM1 P35372 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
ADRB2 P07550 2/20 0.39
ADRA2A P08913 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
CES2 O00748 1/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 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
SCHEMBL6975764 0.90 CYP11B2 (0.41) OPRD1OPRK1DRD4CCR3OPRM1
SCHEMBL6972934 0.89 PKM (0.45) OPRD1OPRK1DRD4CCR3OPRM1
SCHEMBL6977389 0.88 OPRD1 (0.44) OPRD1OPRK1CCR3OPRM1SIGMAR1
SCHEMBL6975114 0.87 OPRD1 (0.44) OPRD1OPRK1OPRM1LMNAHTT
SCHEMBL6981816 0.86 OPRD1 (0.48) OPRD1OPRK1CCR3OPRM1LMNA
SCHEMBL6967490 0.86 OPRD1 (0.41) OPRD1OPRK1DRD4CCR3OPRM1
SCHEMBL6970176 0.85 OPRD1 (0.45) OPRD1OPRK1CCR3CHRM2
SCHEMBL6970257 0.84 OPRD1 (0.41) OPRD1OPRK1OPRM1LMNAHTT
SCHEMBL6965179 0.84 OPRD1 (0.50) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL6978640 0.84 OPRD1 (0.40) OPRD1OPRK1DRD4CCR3OPRM1

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 8 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
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP claimed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO 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
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO disclosed