SCHEMBL7790925

SCHEMBL7790925

COC(=O)C[C@H]1C[C@@H](c2ccc(C(=N)N)cc2)NO1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.39
▸ ITGA2B P08514 10/20 0.39
▸ F2 P00734 5/20 0.35
▸ F10 P00742 3/20 0.35
▸ PRSS1 P07477 2/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ MIF P14174 3/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7372378 1.00 ITGB3 (0.39) ITGB3ITGA2BF2F10PRSS1
SCHEMBL22907553 0.84 MIF (0.48) MIFHDAC6
SCHEMBL8128138 0.82 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL8128142 0.82 ITGB3 (0.30) ITGB3ITGA2B
Formic Acid SCHEMBL7373293 0.82 F2 (0.33) ITGB3ITGA2BF2MIFHDAC6
SCHEMBL8125406 0.82 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL7370488 0.81 KDM1A (0.33) F2MIFHDAC6
SCHEMBL7401822 0.79 ITGB3 (0.57) ITGB3ITGA2BF2F10
SCHEMBL8114641 0.78 ITGB3 (0.32) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7438736 0.77 ITGB3 (0.53) ITGB3ITGA2B

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
EP-0832077-B1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-11-14 — — EP disclosed
US-5811441-A INHIBITION OF PLATELET AGGREGATION; TREATMENT OF AUTOIMMUNE DISEASES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 — — US disclosed
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