SCHEMBL7274583

SCHEMBL7274583

COC(=O)CCc1ccc(N2CCN(c3ccc(C(=O)OC)cc3C(=N)N)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F10 P00742 4/20 0.39
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM1A O60341 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
SCHEMBL7275727 0.93 ITGB3 (0.37) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7281403 0.93 ITGB3 (0.39) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7280965 0.90 ITGB3 (0.36) ITGB3ITGA2BF10F2PRSS1
SCHEMBL8573568 0.90 ITGB3 (0.38) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7281448 0.90 SRD5A1 (0.41) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7283803 0.89 ITGB3 (0.36) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7281659 0.88 ALDH1A1 (0.39) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7285027 0.87 ITGB3 (0.42) ITGB3ITGA2BF10F2PRSS1
SCHEMBL8571837 0.84 ITGB3 (0.40) ITGB3ITGA2BF10F2PRSS1
Hydrochloric Acid SCHEMBL7282024 0.84 F10 (0.43) ITGB3ITGA2BF10F2PRSS1

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