SCHEMBL7280803

SCHEMBL7280803

COC(=O)CCN1CCN(c2ccc(-c3ccc(C(=N)N)cc3)cc2[S+](C)[O-])C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.38
ITGA2B P08514 12/20 0.38
REN P00797 3/20 0.35
CYP3A4 P08684 2/20 0.35
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
TMPRSS2 O15393 2/20 0.32
HTR1D P28221 1/20 0.32
SLC6A4 P31645 1/20 0.32
SCN9A Q15858 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
F10 P00742 2/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 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
SCHEMBL7284822 0.90 ITGB3 (0.42) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7275265 0.86 ITGB3 (0.39) ITGB3ITGA2BRENCYP3A4NPC1
Hydrochloric Acid SCHEMBL7282706 0.85 ITGB3 (0.39) ITGB3ITGA2BRENCYP3A4NPC1
Hydrochloric Acid SCHEMBL7272656 0.84 ITGB3 (0.38) ITGB3ITGA2BRENCYP3A4TMPRSS2
Hydrochloric Acid SCHEMBL9432816 0.84 ITGB3 (0.38) ITGB3ITGA2BRENCYP3A4SCN9A
SCHEMBL7274019 0.84 REN (0.38) ITGB3ITGA2BRENCYP3A4TMPRSS2
Hydrochloric Acid SCHEMBL7273545 0.83 MAPT (0.41) ITGB3ITGA2BNPC1MAPTMAPK1
Hydrochloric Acid SCHEMBL7273115 0.83 REN (0.38) ITGB3ITGA2BRENCYP3A4TMPRSS2
Hydrochloric Acid SCHEMBL7281082 0.82 REN (0.37) ITGB3ITGA2BRENCYP3A4NPC1
Hydrochloric Acid SCHEMBL7282101 0.82 ITGB3 (0.37) ITGB3ITGA2BRENCYP3A4MAPT

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