SCHEMBL7445802

SCHEMBL7445802

CCOC(=O)C(CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)COCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.54
ITGA2B P08514 8/20 0.54
ALDH1A1 P00352 2/20 0.46
F2R P25116 3/20 0.43
GPR119 Q8TDV5 1/20 0.43
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
STS P08842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
YAP1 P46937 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7444755 0.93 ITGB3 (0.56) ITGB3ITGA2BF2RGPR119KMT2A
SCHEMBL7504289 0.91 ITGB3 (0.52) ITGB3ITGA2BALDH1A1F2RGPR119
SCHEMBL7501689 0.91 ITGB3 (0.52) ITGB3ITGA2BALDH1A1F2RGPR119
SCHEMBL7446950 0.87 KDM4E (0.53) ITGB3ITGA2BALDH1A1F2RGPR119
SCHEMBL6936056 0.87 ITGB3 (0.69) ITGB3ITGA2BALDH1A1F2RGPR119
SCHEMBL7450055 0.86 ITGB3 (0.42) ITGB3ITGA2BALDH1A1GPR119KMT2A
SCHEMBL7506218 0.85 ITGB3 (0.49) ITGB3ITGA2BALDH1A1F2RKMT2A
SCHEMBL7503244 0.85 ITGB3 (0.50) ITGB3ITGA2BALDH1A1F2RGPR119
SCHEMBL7445811 0.85 ITGB3 (0.52) ITGB3ITGA2BALDH1A1F2RL3MBTL1
SCHEMBL7445639 0.84 ITGB3 (0.49) ITGB3ITGA2BALDH1A1F2RKMT2A

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP 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