SCHEMBL7273265

SCHEMBL7273265

N=C(N)c1ccc(N2CCN(c3ccc(CC(N)C(=O)O)cc3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.50
ITGA2B P08514 9/20 0.50
F10 P00742 3/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
TPH1 P17752 1/20 0.49
SLC7A5 Q01650 2/20 0.46
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
TYR P14679 5/20 0.43

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 SCHEMBL7276409 0.85 F10 (0.46) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7282628 0.84 SLC7A5 (0.50) ITGB3ITGA2BTPH1SLC7A5ALPI
SCHEMBL288201 0.84 TPH1 (0.66) F10F2PRSS1TPH1SLC7A5
SCHEMBL1397441 0.84 TPH1 (0.66) F10F2PRSS1TPH1SLC7A5
SCHEMBL288202 0.84 TPH1 (0.66) F10F2PRSS1TPH1SLC7A5
SCHEMBL1064252 0.84 TPH1 (0.66) F10F2PRSS1TPH1SLC7A5
Hydrochloric Acid SCHEMBL5279289 0.82 TPH1 (0.64) F10F2PRSS1TPH1SLC7A5
SCHEMBL7274080 0.82 ITGB3 (0.74) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7272904 0.81 TPH1 (0.50) ITGB3ITGA2BF2PRSS1TPH1
Hydrochloric Acid SCHEMBL8575744 0.78 CPN1 (0.45) 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