SCHEMBL7702984

SCHEMBL7702984

Cc1[nH]c2c(C)cccc2c1C1CCN(CCC2CCN(/C=C/C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.40
SLC2A1 P11166 1/20 0.40
KCNH2 Q12809 2/20 0.38
CACNA1I Q9P0X4 1/20 0.38
DRD2 P14416 6/20 0.36
HTR2A P28223 6/20 0.36
DRD3 P35462 6/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
HDAC1 Q13547 1/20 0.36
TACR2 P21452 2/20 0.35

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 0.90 CCR2 (0.46) CCR2SLC2A1KCNH2CACNA1IOPRM1
SCHEMBL7701223 0.86 CCR2 (0.49) CCR2SLC2A1KCNH2CACNA1IDRD2
SCHEMBL7701149 0.82 OPRM1 (0.49) CCR2KCNH2OPRM1OPRK1HDAC1
SCHEMBL7696975 0.79 SLC2A1 (0.49) CCR2SLC2A1KCNH2CACNA1IDRD2
SCHEMBL7705374 0.78 SLC2A1 (0.46) CCR2SLC2A1KCNH2CACNA1IDRD2
SCHEMBL7702546 0.76 SLC2A1 (0.52) CCR2SLC2A1DRD2HTR2ADRD3
SCHEMBL7700232 0.75 SLC2A1 (0.69) CCR2SLC2A1
SCHEMBL7701921 0.75 CCR2 (0.56) CCR2SLC2A1DRD2HTR2ADRD3
SCHEMBL7694620 0.73 CCR2 (0.56) CCR2SLC2A1DRD2HTR2ADRD3
SCHEMBL7700045 0.73 CCR2 (0.56) CCR2SLC2A1DRD2HTR2ADRD3

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