SCHEMBL21706030

SCHEMBL21706030

CNC(CNC(=O)CC1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)OC

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.75
▸ ITGA2B P08514 20/20 0.75
▸ ITGB2 P05107 1/20 0.63
▸ ITGAM P11215 1/20 0.63

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
SCHEMBL21706057 0.86 ITGB3 (0.66) ITGB3ITGA2BITGB2ITGAM
Roxifiban SCHEMBL24336949 0.86 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL344302 0.86 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL919675 0.84 ITGB3 (0.95) ITGB3ITGA2B
SCHEMBL21705409 0.82 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL25802365 0.82 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL24336948 0.82 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL26480344 0.82 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7090791 0.82 ITGB3 (0.89) ITGB3ITGA2BITGB2ITGAM
SCHEMBL21705414 0.81 ITGB3 (0.64) 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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