SCHEMBL7274019

SCHEMBL7274019

COC(=O)CCN1CCN(c2ccc(-c3ccc(C(=N)N)cc3)cc2SC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.38
CYP3A4 P08684 2/20 0.38
ITGB3 P05106 9/20 0.38
ITGA2B P08514 9/20 0.38
TMPRSS15 P98073 3/20 0.33
AOC3 Q16853 2/20 0.33
TMPRSS2 O15393 1/20 0.33
HTR1D P28221 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
Hydrochloric Acid SCHEMBL7273115 0.99 REN (0.38) RENCYP3A4ITGB3ITGA2BTMPRSS15
SCHEMBL7272618 0.90 ITGB3 (0.44) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7275265 0.88 ITGB3 (0.39) RENCYP3A4ITGB3ITGA2BTMPRSS2
Hydrochloric Acid SCHEMBL7282706 0.87 ITGB3 (0.39) RENCYP3A4ITGB3ITGA2BTMPRSS2
Hydrochloric Acid SCHEMBL7272656 0.86 ITGB3 (0.38) RENCYP3A4ITGB3ITGA2BTMPRSS2
Hydrochloric Acid SCHEMBL9432816 0.86 ITGB3 (0.38) RENCYP3A4ITGB3ITGA2BTMPRSS15
SCHEMBL7272997 0.84 EGLN1 (0.37) RENCYP3A4
Hydrochloric Acid SCHEMBL7282101 0.84 ITGB3 (0.37) RENCYP3A4ITGB3ITGA2BTMPRSS2
SCHEMBL7280803 0.84 ITGB3 (0.38) RENCYP3A4ITGB3ITGA2BTMPRSS2
Hydrochloric Acid SCHEMBL7281082 0.84 REN (0.37) RENCYP3A4ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed