SCHEMBL6970267

SCHEMBL6970267

CCOC(=O)C1CCN(C(=O)c2c(CN3CCC(c4ccccc4)(c4ccccc4)CC3)ncn2Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.45
MDM2 Q00987 1/20 0.45
CYP2C19 P33261 1/20 0.45
OPRD1 P41143 4/20 0.44
OPRK1 P41145 3/20 0.44
OPRM1 P35372 1/20 0.44
KDM4E B2RXH2 3/20 0.43
CCR5 P51681 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6976119 0.91 ALDH1A1 (0.50) POLBKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6974605 0.85 OPRD1 (0.44) OPRD1OPRK1OPRM1KDM4EALDH1A1
SCHEMBL6970176 0.85 OPRD1 (0.45) OPRD1OPRK1
SCHEMBL6965179 0.84 OPRD1 (0.50) KMT2AOPRD1OPRK1OPRM1MEN1
SCHEMBL6968136 0.84 OPRD1 (0.44) OPRD1OPRK1
SCHEMBL6965660 0.84 CHRM4 (0.43) OPRD1OPRK1
SCHEMBL6973203 0.84 CYP11B2 (0.42) KMT2AOPRD1OPRK1
SCHEMBL6967499 0.83 CHRM2 (0.45) POLBCYP2C19OPRD1OPRK1ALDH1A1
SCHEMBL6977305 0.82 KMT2A (0.46) POLBKMT2AMDM2CYP2C19KDM4E
SCHEMBL6972934 0.80 PKM (0.45) OPRD1OPRK1OPRM1

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 6 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