SCHEMBL7445987

SCHEMBL7445987

CC(C)OC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)NOC(=O)N3CCN(C)CC3)cc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.58
ITGA2B P08514 2/20 0.58
FPR2 P25090 8/20 0.35
FPR1 P21462 4/20 0.33
HDAC1 Q13547 6/20 0.33
HDAC8 Q9BY41 6/20 0.33
HDAC6 Q9UBN7 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ROCK2 O75116 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 SCHEMBL8103427 0.99 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7444447 0.93 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7446668 0.91 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL7446661 0.90 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7447020 0.90 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7446061 0.90 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8093695 0.89 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL7447015 0.89 ITGB3 (0.72) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7446802 0.89 ITGB3 (0.66) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL8093691 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