SCHEMBL7446262

SCHEMBL7446262

N=C(NO)c1ccc(N2CC[C@H](NC(=O)NCCC(=O)O)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.60
ITGA2B P08514 7/20 0.60
FPR2 P25090 3/20 0.46
FPR1 P21462 2/20 0.46
HDAC6 Q9UBN7 10/20 0.44
HDAC8 Q9BY41 9/20 0.44
HDAC1 Q13547 8/20 0.44

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
SCHEMBL7444870 0.89 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7413110 0.88 ITGB3 (0.75) ITGB3ITGA2BFPR2FPR1
SCHEMBL7075515 0.88 ITGB3 (0.75) ITGB3ITGA2BFPR2FPR1
SCHEMBL7455081 0.88 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7447973 0.86 ITGB3 (0.81) ITGB3ITGA2BFPR2FPR1HDAC6
Acetic Acid SCHEMBL7418342 0.86 ITGB3 (0.75) ITGB3ITGA2BFPR2FPR1
SCHEMBL7445984 0.86 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL8093675 0.86 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1HDAC6
Hydrochloric Acid SCHEMBL7447955 0.86 ITGB3 (0.80) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7450405 0.85 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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