SCHEMBL7275697

SCHEMBL7275697

N=C(N)c1ccc(-c2ccc(N3CCN(CCC(=O)O)C3=O)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
ITGB3 P05106 16/20 0.42
ITGA2B P08514 16/20 0.42
HDAC1 Q13547 2/20 0.41

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 SCHEMBL7273001 0.88 HDAC1 (0.38) S1PR1ITGB3ITGA2BHDAC1
SCHEMBL7280721 0.87 S1PR1 (0.54) S1PR1ITGB3ITGA2BHDAC1
SCHEMBL7281674 0.86 S1PR1 (0.47) S1PR1ITGB3ITGA2BHDAC1
SCHEMBL7275573 0.84 S1PR1 (0.44) S1PR1ITGB3ITGA2B
SCHEMBL7282861 0.81 ITGB3 (0.49) S1PR1ITGB3ITGA2B
SCHEMBL7283149 0.80 ITGB3 (0.43) S1PR1ITGB3ITGA2B
SCHEMBL7283517 0.80 S1PR1 (0.47) S1PR1HDAC1
SCHEMBL8540990 0.79 F10 (0.52) S1PR1ITGB3ITGA2B
SCHEMBL7274316 0.78 ITGB3 (0.61) S1PR1ITGB3ITGA2BHDAC1
SCHEMBL7281337 0.77 S1PR1 (0.48) S1PR1HDAC1

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 5 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
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