SCHEMBL9251738

SCHEMBL9251738

COC(=O)CC1CCN(c2ccc3nc(-c4ccc(C(=N)N)cc4)n(C)c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.43
MAP4K4 O95819 1/20 0.39
ITGB3 P05106 17/20 0.39
ITGA2B P08514 17/20 0.39
TMPRSS15 P98073 1/20 0.37

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
SCHEMBL9253758 0.90 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL9255246 0.85 ITGB3 (0.35) MAP4K4ITGB3ITGA2B
SCHEMBL9251783 0.83 TMPRSS15 (0.45) ITGB3ITGA2BTMPRSS15
SCHEMBL9255901 0.82 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL9252483 0.79 ITGB3 (0.44) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949201 0.78 NPC1 (0.47) ITGB3ITGA2B
SCHEMBL9255399 0.77 SCN9A (0.42) ITGB3ITGA2BTMPRSS15
SCHEMBL9249034 0.74 TMPRSS15 (0.40) TMPRSS15
SCHEMBL9186836 0.74 ITGB3 (0.51) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8409916 0.73 ITGB3 (0.50) ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed