SCHEMBL7909620

SCHEMBL7909620

CCC(=O)Nc1ccc2c(c1)CCNC2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.60
ITGB3 P05106 10/20 0.56
ITGA2B P08514 10/20 0.56
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
PLAT P00750 1/20 0.53
KLKB1 P03952 1/20 0.53
PRSS1 P07477 1/20 0.53
MELK Q14680 2/20 0.52
SLC2A1 P11166 1/20 0.48
S1PR1 P21453 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL7904909 0.88 RAB9A (0.67) RAB9AITGB3ITGA2BCYP3A4
SCHEMBL17999901 0.85 ITGB3 (0.53) RAB9AITGB3ITGA2BF2PLG
Hydrochloric Acid SCHEMBL17969235 0.84 ITGB3 (0.55) RAB9AITGB3ITGA2BF2PLG
SCHEMBL17999904 0.84 ITGB3 (0.52) ITGB3ITGA2BF2PLGPLAU
SCHEMBL7903531 0.84 F2 (0.56) RAB9AITGB3ITGA2BF2PLG
SCHEMBL16634809 0.83 ITGB3 (0.49) RAB9AITGB3ITGA2BF2PLG
Hydrochloric Acid SCHEMBL17969256 0.83 ITGB3 (0.54) ITGB3ITGA2BF2PLGPLAU
Hydrochloric Acid SCHEMBL17969248 0.82 ITGB3 (0.51) ITGB3ITGA2BF2PLGPLAU
Hydrochloric Acid SCHEMBL31174279 0.82 F2 (0.55) RAB9AITGB3ITGA2BF2PLG
SCHEMBL3658561 0.82 F2 (0.57) ITGB3ITGA2BF2PLGPLAU

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-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed