SCHEMBL7206191

SCHEMBL7206191

OC1(c2ccc(Cl)cc2)CCN(CC/C=C2/c3ccc(Br)cc3OCc3ncccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.57
CCR5 P51681 2/20 0.48
CHRM2 P08172 1/20 0.48
DRD2 P14416 3/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CCR3 P51677 2/20 0.37
DRD4 P21917 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL7206194 1.00 CCR1 (0.57) CCR1CCR5CHRM2DRD2OPRM1
SCHEMBL13824314 0.94 CCR1 (0.63) CCR1CCR5CHRM2DRD2OPRM1
SCHEMBL10287660 0.92 CCR1 (0.49) CCR1CCR5CHRM2DRD2OPRM1
SCHEMBL7205645 0.90 CCR1 (0.61) CCR1CCR5CHRM2DRD2OPRM1
SCHEMBL7205649 0.90 CCR1 (0.61) CCR1CCR5CHRM2DRD2OPRM1
SCHEMBL10287590 0.89 CCR1 (0.56) CCR1CCR5CHRM2DRD2OPRM1
SCHEMBL13617245 0.89 CCR1 (0.56) CCR1CCR5CHRM2DRD2OPRM1
SCHEMBL10287591 0.89 CCR1 (0.58) CCR1CCR5CHRM2DRD2OPRM1
SCHEMBL13824477 0.88 CCR1 (0.66) CCR1CCR5CHRM2DRD2OPRM1
SCHEMBL14419959 0.88 CCR1 (0.66) CCR1CCR5CHRM2DRD2OPRM1

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
US-6613905-B1 Treating or preventing a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 US disclosed