SCHEMBL8881992

SCHEMBL8881992

N=C(N)c1ccc(Nc2ccccc2C(=O)C(N)[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.39
ITGA2B P08514 16/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
ITGAV P06756 2/20 0.39
F2 P00734 3/20 0.36

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
SCHEMBL8882000 0.83 ITGB3 (0.42) ITGB3ITGA2BSIRT2ITGAVF2
SCHEMBL7276485 0.83 ITGB3 (0.41) ITGB3ITGA2BITGAVF2
SCHEMBL7274763 0.82 OPRM1 (0.40) ITGB3ITGA2BITGAVF2
SCHEMBL7284940 0.81 F10 (0.41) ITGB3ITGA2BITGAVF2
SCHEMBL7275019 0.80 ITGB3 (0.40) ITGB3ITGA2BITGAVF2
SCHEMBL7276057 0.79 ITGB3 (0.42) ITGB3ITGA2BITGAVF2
SCHEMBL7284030 0.78 ALDH1A1 (0.39) ITGB3ITGA2B
SCHEMBL7282388 0.78 ALDH1A1 (0.39) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7272769 0.75 ITGB3 (0.37) ITGB3ITGA2BSIRT2ITGAVF2
SCHEMBL7280923 0.75 ALDH1A1 (0.37) 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
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed