SCHEMBL7953104

SCHEMBL7953104

O=C(O)[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.79
ITGB3 P05106 16/20 0.79
ITGB6 P18564 4/20 0.63
ITGB8 P26012 4/20 0.63
ITGA2B P08514 2/20 0.60
ITGB5 P18084 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
SCHEMBL6421882 0.92 ITGAV (0.73) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL22029436 0.89 ITGB3 (0.85) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL22029510 0.89 ITGB3 (0.85) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6359531 0.88 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6421564 0.88 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL6421303 0.88 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL5301316 0.84 ITGAV (0.77) ITGAVITGB3ITGB6ITGB8
SCHEMBL5301326 0.84 ITGAV (0.77) ITGAVITGB3ITGB6ITGB8
SCHEMBL7447983 0.83 ITGAV (0.85) ITGAVITGB3ITGB6ITGB8ITGA2B
SCHEMBL7439077 0.83 ITGAV (0.85) ITGAVITGB3ITGB6ITGB8ITGA2B

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
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed