SCHEMBL4386638

SCHEMBL4386638

Cn1cc([C@H](CC(=O)O)N2CCC(CCCC3=CC=C4CCCNC4N3)C2=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.43
ITGAV P06756 11/20 0.43
ITGB1 P05556 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGB6 P18564 1/20 0.30
ITGB8 P26012 1/20 0.30

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
SCHEMBL4368878 0.85 ITGAV (0.47) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL4366546 0.85 ITGAV (0.45) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL4047994 0.85 ITGAV (0.45) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7596311 0.85 ITGAV (0.44) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7591527 0.85 ITGAV (0.44) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7558853 0.85 ITGAV (0.44) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL4366872 0.84 ITGAV (0.45) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL4370537 0.83 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL4363508 0.83 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL4372884 0.83 ITGB3 (0.65) ITGB3ITGAVITGA2B

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
EP-1047425-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-22 EP disclosed
EP-1047425-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-11-02 EP disclosed
WO-1999030709-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed