SCHEMBL7009028

SCHEMBL7009028

CC(CC(=O)O)N(C=O)C1CCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.61
ITGA2B P08514 19/20 0.61
CYP2C9 P11712 1/20 0.48
TSHR P16473 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
SCHEMBL7014307 0.88 ITGB3 (0.48) ITGB3ITGA2BCYP2C9TSHR
SCHEMBL19134110 0.76 FFAR4 (0.70) ITGB3ITGA2B
SCHEMBL7009031 0.76 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7008584 0.74 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7014311 0.71 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL7014909 0.68 ITGB3 (1.00) ITGB3ITGA2BCYP2C9TSHR
SCHEMBL641121 0.67 CYP2C9 (0.75) ITGB3ITGA2BCYP2C9TSHR
SCHEMBL7014318 0.67 ITGB3 (0.70) ITGB3ITGA2BCYP2C9TSHR
SCHEMBL7017944 0.67 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL3096735 0.66 CYP2C9 (1.00) ITGB3ITGA2BCYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224186-B1 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION MILLENNIUM PHARM INC (US) 2003-09-24 EP disclosed
EP-1224186-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2002-07-24 EP disclosed
WO-2001030780-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2001-05-03 WO disclosed