SCHEMBL21705670

SCHEMBL21705670

COC(=O)CCNC(=O)CC1CC(c2ccc(C(=N)N)cc2)=NO1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.80
▸ ITGA2B P08514 18/20 0.80
▸ ITGB2 P05107 2/20 0.80
▸ ITGAM P11215 2/20 0.80
▸ F2 P00734 2/20 0.66
▸ F10 P00742 2/20 0.66
▸ PRSS1 P07477 1/20 0.60

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
SCHEMBL7401821 0.89 ITGB3 (1.00) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7372374 0.87 MIF (0.72) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7373045 0.87 MIF (0.72) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL21706030 0.81 ITGB3 (0.75) ITGB3ITGA2BITGB2ITGAM
SCHEMBL12556116 0.81 MIF (0.71) ITGB3ITGA2BITGB2ITGAM
SCHEMBL21706057 0.80 ITGB3 (0.66) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL12518879 0.80 MIF (0.59) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7090791 0.79 ITGB3 (0.89) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL12518911 0.78 MIF (0.57) ITGB3ITGA2BITGB2ITGAM
SCHEMBL12518895 0.78 MIF (0.74) ITGB3ITGA2BITGB2ITGAM

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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