SCHEMBL4919908

SCHEMBL4919908

CC(=O)OC(CNC1CC1)c1ccccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.60
CHRM2 P08172 1/20 0.54
CYP2D6 P10635 1/20 0.54
DRD2 P14416 1/20 0.54
OPRM1 P35372 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL4791654 0.90 CXCR4 (0.63) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL3265558 0.88 CXCR4 (0.69) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2510467 0.81 CXCR4 (0.77) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL3267285 0.81 CXCR4 (0.72) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2509900 0.80 CXCR4 (0.73) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2506336 0.80 CXCR4 (0.66) CXCR4
SCHEMBL2507422 0.80 CXCR4 (0.68) CXCR4
SCHEMBL2508375 0.79 CXCR4 (0.77) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2504776 0.78 CXCR4 (0.86) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2507346 0.78 CXCR4 (0.83) CXCR4CHRM2CYP2D6DRD2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991221-A2 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION Genzyme Corporation (US) 2008-11-19 EP disclosed
WO-2007106063-A2 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION (US) 2007-09-20 WO disclosed