SCHEMBL6972078

SCHEMBL6972078

COC(=O)CNC(=O)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.45
OPRD1 P41143 15/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
OPRK1 P41145 11/20 0.41
OPRM1 P35372 1/20 0.38
CCR2 P41597 1/20 0.37

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
SCHEMBL6971168 0.92 ADRA1A (0.44) OPRL1OPRD1ADRA2AADRA2BADRA2C
SCHEMBL6974540 0.90 OPRD1 (0.40) OPRL1OPRD1ADRA2AADRA2BADRA2C
SCHEMBL6975294 0.90 ADRA1A (0.47) OPRL1OPRD1ADRA2AADRA2BADRA2C
SCHEMBL6965116 0.88 ADRA1A (0.49) OPRL1OPRD1ADRA2AADRA2BADRA2C
SCHEMBL6967490 0.87 OPRD1 (0.41) OPRL1OPRD1ADRA2AADRA2BADRA2C
SCHEMBL6981816 0.87 OPRD1 (0.48) OPRL1OPRD1ADRA2AADRA2BADRA2C
SCHEMBL6974750 0.87 OPRD1 (0.40) OPRL1OPRD1ADRA2AADRA2BADRA2C
SCHEMBL6975845 0.87 ADRA1A (0.42) OPRL1OPRD1ADRA2AADRA2BADRA2C
SCHEMBL6979779 0.87 ADRA1A (0.41) OPRL1OPRD1ADRA2AADRA2BADRA2C
SCHEMBL6981273 0.86 OPRD1 (0.40) OPRL1OPRD1ADRA2AADRA2BADRA2C

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