SCHEMBL7274642

SCHEMBL7274642

COC(=O)CCCc1ccc(N2CCN(C3CCC(N)CC3)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
EPHX2 P34913 1/20 0.38
F10 P00742 3/20 0.38
F2 P00734 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MIF P14174 1/20 0.36
HPN P05981 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
HGFAC Q04756 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
HDAC1 Q13547 1/20 0.35
KHK P50053 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7273643 0.94 HRH3 (0.43) S1PR1EPHX2F10F2HRH3
SCHEMBL7280969 0.90 SMN1; SMN2 (0.40) S1PR1EPHX2F10F2HRH3
SCHEMBL7273740 0.87 S1PR1 (0.48) S1PR1F10F2HRH3HPN
Hydrochloric Acid SCHEMBL7387665 0.84 KHK (0.46) S1PR1EPHX2HRH3KHK
SCHEMBL7282065 0.83 HRH3 (0.41) S1PR1EPHX2F10F2HRH3
Hydrochloric Acid SCHEMBL7394184 0.82 HRH3 (0.41) S1PR1EPHX2F10F2HRH3
SCHEMBL7274634 0.82 ITGB3 (0.45) S1PR1F10F2HRH3HPN
SCHEMBL7281415 0.82 ITGB3 (0.41) F10HPNPRSS1PRSS2PRSS3
SCHEMBL7395852 0.81 F10 (0.52) S1PR1F10F2HPNPRSS1
SCHEMBL7280320 0.81 KHK (0.48) S1PR1EPHX2F10HRH3HDAC1

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