SCHEMBL7446802

SCHEMBL7446802

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.66
ITGA2B P08514 4/20 0.66
FPR2 P25090 9/20 0.36
FPR1 P21462 5/20 0.36
HDAC1 Q13547 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7455508 0.91 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7448793 0.91 ITGB3 (0.78) ITGB3ITGA2BFPR2FPR1
SCHEMBL7455251 0.91 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7445984 0.90 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL7448776 0.90 ITGB3 (0.77) ITGB3ITGA2BFPR2FPR1
SCHEMBL7449988 0.90 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL7454539 0.90 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7448694 0.89 ITGB3 (0.83) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7445987 0.89 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL8103427 0.88 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1HDAC1

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