SCHEMBL7449682

SCHEMBL7449682

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.60
ITGA2B P08514 2/20 0.60
EPHX2 P34913 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
GLA P06280 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FPR2 P25090 6/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
FPR1 P21462 4/20 0.31
MAPT P10636 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL7449435 0.98 ITGB3 (0.61) ITGB3ITGA2BEPHX2HDAC6GLA
Hydrochloric Acid SCHEMBL7450323 0.97 ITGB3 (0.60) ITGB3ITGA2BEPHX2HDAC6GLA
SCHEMBL7450950 0.95 ITGB3 (0.63) ITGB3ITGA2BHDAC6GLACYP1A2
Acetic Acid SCHEMBL7448074 0.92 ITGB3 (0.60) ITGB3ITGA2BHDAC6CYP1A2FPR2
SCHEMBL7447038 0.92 ITGB3 (0.72) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7451987 0.91 ITGB3 (0.60) ITGB3ITGA2BEPHX2HDAC6GLA
Water SCHEMBL7450330 0.90 ITGB3 (0.59) ITGB3ITGA2BEPHX2HDAC6CYP1A2
Acetic Acid SCHEMBL7445840 0.90 ITGB3 (0.69) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7444768 0.90 ITGB3 (0.64) ITGB3ITGA2BEPHX2HDAC6CYP1A2
SCHEMBL7447482 0.89 ITGB3 (0.61) ITGB3ITGA2BEPHX2HDAC6FPR2

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 4 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
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO 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