SCHEMBL7274634

SCHEMBL7274634

NC1CCC(N2CCN(c3ccc(CCC(=O)O)cc3)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
S1PR1 P21453 1/20 0.45
F10 P00742 7/20 0.43
F2 P00734 5/20 0.43
FFAR1 O14842 4/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PRSS1 P07477 4/20 0.39
FFAR4 Q5NUL3 2/20 0.39
HPN P05981 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HGFAC Q04756 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7273740 0.93 S1PR1 (0.48) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7273800 0.88 F2 (0.49) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7273643 0.86 HRH3 (0.43) S1PR1F10F2PRSS1HPN
SCHEMBL7281150 0.84 F10 (0.49) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7274642 0.82 S1PR1 (0.41) S1PR1F10F2PRSS1HPN
SCHEMBL7284432 0.81 GCGR (0.42) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7275097 0.79 S1PR1 (0.52) ITGB3ITGA2BS1PR1FFAR1PPARD
Hydrochloric Acid SCHEMBL7392230 0.77 S1PR1 (0.49) ITGB3ITGA2BS1PR1FFAR4
SCHEMBL7275491 0.77 S1PR1 (0.52) ITGB3ITGA2BS1PR1FFAR1PPARD
SCHEMBL26934953 0.76 S1PR1 (0.45) ITGB3ITGA2BS1PR1F10FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1092769-A Cyclic urea derivatives, the method that contains the pharmaceutical composition of these compounds and prepare them THOMAE GMBH DR K (DE) 1994-09-28 CN claimed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP claimed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
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-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 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
CN-1092769-A Cyclic urea derivatives, the method that contains the pharmaceutical composition of these compounds and prepare them THOMAE GMBH DR K (DE) 1994-09-28 CN disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP 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