SCHEMBL7931599

SCHEMBL7931599

COC(=O)CC1C(=O)N(CC(=O)O)CCN1C(=O)C(CC(=O)N1CCN(c2ccncc2)CC1)N(C)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.42
ITGA2B P08514 11/20 0.42
RORC P51449 4/20 0.35
CASP1 P29466 1/20 0.34

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
SCHEMBL7367242 1.00 ITGB3 (0.42) ITGB3ITGA2BRORCCASP1
SCHEMBL7931603 1.00 ITGB3 (0.42) ITGB3ITGA2BRORCCASP1
Hydrochloric Acid SCHEMBL7364672 0.90 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7367244 0.88 RORC (0.36) RORC
SCHEMBL7937529 0.87 RORC (0.35) ITGB3ITGA2BRORCCASP1
SCHEMBL7365564 0.85 ITGB3 (0.42) ITGB3ITGA2BCASP1
SCHEMBL7365560 0.85 ITGB3 (0.42) ITGB3ITGA2BCASP1
SCHEMBL7934109 0.85 ITGB3 (0.42) ITGB3ITGA2BCASP1
SCHEMBL7935145 0.85 ITGB3 (0.46) ITGB3ITGA2BCASP1
SCHEMBL7370702 0.85 ITGB3 (0.46) ITGB3ITGA2BCASP1

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-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed