SCHEMBL7365953

SCHEMBL7365953

COC(=O)CC1C(=O)N(CC(=O)O)CCN1C(=O)C(CC(=O)N1CCN(c2ccncc2)CC1)NCc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.43
ITGA2B P08514 6/20 0.43
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GFER P55789 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7365965 1.00 ITGB3 (0.43) ITGB3ITGA2BALDH1A1GAATSHR
SCHEMBL7365958 1.00 ITGB3 (0.43) ITGB3ITGA2BALDH1A1GAATSHR
Trifluoroacetic Acid SCHEMBL7924758 0.96 ITGB3 (0.40) ITGB3ITGA2BALDH1A1GAATSHR
Trifluoroacetic Acid SCHEMBL7369430 0.96 ITGB3 (0.40) ITGB3ITGA2BALDH1A1GAATSHR
SCHEMBL7365560 0.94 ITGB3 (0.42) ITGB3ITGA2BGFER
SCHEMBL7934109 0.94 ITGB3 (0.42) ITGB3ITGA2BGFER
SCHEMBL7365564 0.94 ITGB3 (0.42) ITGB3ITGA2BGFER
SCHEMBL7933354 0.89 ITGB3 (0.44) ITGB3ITGA2BALDH1A1GAATSHR
SCHEMBL7365503 0.89 ITGB3 (0.44) ITGB3ITGA2BALDH1A1GAATSHR
Hydrochloric Acid SCHEMBL7370143 0.88 ITGB3 (0.43) ITGB3ITGA2BTSHR

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
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
EP-0970071-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-12 EP disclosed
WO-1998039324-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 WO disclosed