SCHEMBL21705421

SCHEMBL21705421

COC(=O)C(CNC(=O)CC1CC(c2ccc(C(=N)N)cc2)=NO1)NCc1[nH]c2ccccc2c1CO

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.58
▸ ITGA2B P08514 20/20 0.58

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
SCHEMBL21705507 0.88 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL26480354 0.84 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL21705407 0.82 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL21705420 0.82 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL26480347 0.82 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL21705508 0.81 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL21705419 0.81 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL21705422 0.81 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL21705418 0.81 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL21705423 0.81 ITGB3 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020033724-A1 INTEGRIN ANTAGONISTS THE GENERAL HOSPITAL CORPORATION (US) 2020-02-13 — — WO disclosed
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