SCHEMBL7436168

SCHEMBL7436168

CCCCCOC(=O)[C@@](C)(NC(C)=O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.41
ITGA2B P08514 15/20 0.41
F2R P25116 12/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
EPHX1 P07099 1/20 0.36
GPR119 Q8TDV5 1/20 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
SCHEMBL7496489 0.91 ITGB3 (0.43) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7446371 0.88 ITGB3 (0.52) ITGB3ITGA2BF2R
SCHEMBL7501275 0.83 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1MAPT
SCHEMBL7436163 0.82 ITGB3 (0.46) ITGB3ITGA2BF2R
SCHEMBL7436153 0.82 ITGB3 (0.45) ITGB3ITGA2BF2R
SCHEMBL7504513 0.82 ITGB3 (0.40) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7508451 0.82 ITGB3 (0.41) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7501010 0.80 ITGB3 (0.48) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7501005 0.79 ITGB3 (0.45) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7506668 0.79 ITGB3 (0.47) ITGB3ITGA2BF2RALDH1A1MEN1

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed