SCHEMBL7701149

SCHEMBL7701149

Cc1[nH]c2ccccc2c1C1CCN(CC2CCN(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRD1 P41143 1/20 0.49
OPRL1 P41146 1/20 0.49
KCNH2 Q12809 3/20 0.46
HDAC1 Q13547 2/20 0.46
CCR2 P41597 10/20 0.43
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 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
SCHEMBL7701314 0.93 CCR2 (0.46) OPRM1OPRK1OPRD1OPRL1KCNH2
SCHEMBL7702544 0.83 CCR2 (0.62) HDAC1CCR2
SCHEMBL7702984 0.82 CCR2 (0.40) OPRM1OPRK1KCNH2HDAC1CCR2
SCHEMBL7702484 0.78 OPRM1 (0.49) OPRM1OPRK1OPRL1CCR2
SCHEMBL7703003 0.76 CCR2 (0.62) OPRM1OPRK1OPRL1CCR2
SCHEMBL7695531 0.75 CCR2 (0.52) OPRM1OPRK1OPRL1CCR2
SCHEMBL7702941 0.75 CCR2 (0.51) OPRM1OPRK1OPRL1KCNH2CCR2
SCHEMBL7699076 0.75 CCR2 (0.52) CCR2
SCHEMBL7696192 0.75 CCR2 (0.58) CCR2
SCHEMBL7695961 0.75 HTR1D (0.54) CCR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002079190-A1 3-SUBSTITUTED INDOLES AS CHEMOKINE ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-10 WO disclosed