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SCHEMBL7937541

SCHEMBL7937541

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.40
▸ ITGA2B P08514 16/20 0.40
▸ CASP1 P29466 1/20 0.34
▸ ROCK2 O75116 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL7403355 1.00 ITGB3 (0.40) ITGB3ITGA2BCASP1ROCK2DPP4
SCHEMBL7403351 1.00 ITGB3 (0.40) ITGB3ITGA2BCASP1ROCK2DPP4
Hydrochloric Acid SCHEMBL7363292 0.91 ITGB3 (0.43) ITGB3ITGA2BCASP1
Hydrochloric Acid SCHEMBL7364908 0.91 ITGB3 (0.43) ITGB3ITGA2BCASP1
Hydrochloric Acid SCHEMBL7363302 0.91 ITGB3 (0.43) ITGB3ITGA2BCASP1
Hydrochloric Acid SCHEMBL7363298 0.91 ITGB3 (0.43) ITGB3ITGA2BCASP1
SCHEMBL7931556 0.89 ITGB3 (0.43) ITGB3ITGA2BCASP1ROCK2
SCHEMBL7924895 0.89 ITGB3 (0.43) ITGB3ITGA2BCASP1ROCK2
SCHEMBL7924899 0.89 ITGB3 (0.43) ITGB3ITGA2BCASP1ROCK2
SCHEMBL7924890 0.89 ITGB3 (0.43) ITGB3ITGA2BCASP1ROCK2

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