SCHEMBL7273740

SCHEMBL7273740

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
F10 P00742 4/20 0.42
F2 P00734 2/20 0.41
FFAR4 Q5NUL3 6/20 0.41
HRH3 Q9Y5N1 1/20 0.40
TBXAS1 P24557 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL7274634 0.93 ITGB3 (0.45) S1PR1F10F2FFAR4HRH3
SCHEMBL7274642 0.87 S1PR1 (0.41) S1PR1F10F2HRH3HDAC1
SCHEMBL7273643 0.82 HRH3 (0.43) S1PR1F10F2HRH3HDAC1
Hydrochloric Acid SCHEMBL7392230 0.82 S1PR1 (0.49) S1PR1RXRARXRBRXRGFFAR4
SCHEMBL7273800 0.82 F2 (0.49) S1PR1F10F2FFAR4HRH3
SCHEMBL7284432 0.79 GCGR (0.42) F10F2HRH3ITGB3ITGA2B
SCHEMBL7281150 0.78 F10 (0.49) S1PR1F10F2ITGB3ITGA2B
SCHEMBL7280969 0.77 SMN1; SMN2 (0.40) S1PR1F10F2HRH3MAPK1
SCHEMBL7271946 0.76 ITGB3 (0.63) S1PR1F10F2ITGB3ITGA2B
SCHEMBL7275097 0.72 S1PR1 (0.52) S1PR1RXRARXRBRXRGFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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