SCHEMBL13344627

SCHEMBL13344627

O=C(N[C@@H](CNC(=O)C1CCN(C(=O)CCONC2=NCCN2)CC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.57
ITGA2B P08514 8/20 0.57
ITGAV P06756 16/20 0.53
ITGB5 P18084 1/20 0.43

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
SCHEMBL29262108 1.00 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB5
SCHEMBL13344587 0.89 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB5
SCHEMBL5755977 0.88 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5
SCHEMBL13344620 0.85 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5
SCHEMBL13369222 0.84 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL13344598 0.84 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL3536943 0.83 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL13344616 0.82 ITGB3 (0.54) ITGB3ITGA2BITGAVITGB5
SCHEMBL13344624 0.82 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL13369312 0.81 ITGB3 (0.49) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901086-B Tobacco treatment 英美烟草(投资)有限公司 2024-05-31 CN disclosed
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US disclosed
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US disclosed