SCHEMBL7448933

SCHEMBL7448933

COC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)NOC(=O)N(C)CCCN(C)C)cc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.58
ITGA2B P08514 2/20 0.58
HDAC6 Q9UBN7 3/20 0.35
FPR2 P25090 9/20 0.34
TMPRSS15 P98073 4/20 0.33
FPR1 P21462 5/20 0.33
EPHX2 P34913 1/20 0.32
ROCK2 O75116 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31

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
Hydrochloric Acid SCHEMBL7448923 0.99 ITGB3 (0.57) ITGB3ITGA2BHDAC6FPR2TMPRSS15
SCHEMBL7448991 0.95 ITGB3 (0.60) ITGB3ITGA2BHDAC6FPR2FPR1
Hydrochloric Acid SCHEMBL7450529 0.94 ITGB3 (0.59) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7447031 0.93 ITGB3 (0.69) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7449484 0.93 ITGB3 (0.55) ITGB3ITGA2BHDAC6FPR2TMPRSS15
SCHEMBL7449825 0.93 ITGB3 (0.55) ITGB3ITGA2BHDAC6FPR2FPR1
Hydrochloric Acid SCHEMBL7447025 0.93 ITGB3 (0.68) ITGB3ITGA2BHDAC6FPR2FPR1
Water SCHEMBL7553721 0.92 ITGB3 (0.54) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7453605 0.92 ITGB3 (0.60) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7454726 0.91 ITGB3 (0.58) ITGB3ITGA2BHDAC6FPR2FPR1

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-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US claimed
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US disclosed
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed