SCHEMBL7445982

SCHEMBL7445982

COC[C@H](CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.54
ITGA2B P08514 17/20 0.54
F2R P25116 12/20 0.54
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.40

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
SCHEMBL7446205 0.93 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7445120 0.91 ITGB3 (0.55) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7444844 0.90 ITGB3 (0.55) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7508228 0.87 ITGB3 (0.57) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL6538613 0.86 ITGB3 (0.56) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7448626 0.86 ITGB3 (0.72) ITGB3ITGA2BF2R
SCHEMBL7444755 0.86 ITGB3 (0.56) ITGB3ITGA2BF2RKMT2A
SCHEMBL7503218 0.85 ITGB3 (0.51) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7443039 0.85 ITGB3 (0.55) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7501795 0.85 ITGB3 (0.54) ITGB3ITGA2BF2RALDH1A1KMT2A

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