SCHEMBL7273643

SCHEMBL7273643

COC(=O)CCc1ccc(N2CCN(C3CCC(N)CC3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
F10 P00742 4/20 0.39
F2 P00734 2/20 0.38
S1PR1 P21453 1/20 0.38
PRSS1 P07477 2/20 0.37
HPN P05981 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
HGFAC Q04756 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
HDAC1 Q13547 2/20 0.36
KHK P50053 3/20 0.36
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.35
CTSD P07339 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 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
SCHEMBL7274642 0.94 S1PR1 (0.41) HRH3F10F2S1PR1PRSS1
SCHEMBL7282065 0.89 HRH3 (0.41) HRH3F10F2S1PR1PRSS1
Hydrochloric Acid SCHEMBL7394184 0.89 HRH3 (0.41) HRH3F10F2S1PR1PRSS1
SCHEMBL7280320 0.87 KHK (0.48) HRH3F10S1PR1HDAC1KHK
SCHEMBL7274634 0.86 ITGB3 (0.45) HRH3F10F2S1PR1PRSS1
SCHEMBL7282879 0.85 F10 (0.46) HRH3F10F2S1PR1PRSS1
SCHEMBL7281415 0.83 ITGB3 (0.41) F10PRSS1HPNPRSS2PRSS3
SCHEMBL7272988 0.83 F10 (0.54) F10F2PRSS1HPNPRSS2
SCHEMBL7280969 0.83 SMN1; SMN2 (0.40) HRH3F10F2S1PR1PRSS1
SCHEMBL7273740 0.82 S1PR1 (0.48) HRH3F10F2S1PR1PRSS1

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