SCHEMBL7280969

SCHEMBL7280969

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
S1PR1 P21453 1/20 0.39
F10 P00742 4/20 0.39
F2 P00734 2/20 0.38
EPHX2 P34913 1/20 0.37
PRSS1 P07477 2/20 0.36
HPN P05981 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
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MIF P14174 1/20 0.35

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 0.90 S1PR1 (0.41) S1PR1F10F2EPHX2PRSS1
SCHEMBL7273643 0.83 HRH3 (0.43) S1PR1F10F2EPHX2PRSS1
Hydrochloric Acid SCHEMBL7387665 0.82 KHK (0.46) S1PR1EPHX2HRH3
SCHEMBL7282065 0.82 HRH3 (0.41) S1PR1F10F2EPHX2PRSS1
Hydrochloric Acid SCHEMBL7394184 0.81 HRH3 (0.41) S1PR1F10F2EPHX2PRSS1
SCHEMBL7282879 0.80 F10 (0.46) S1PR1F10F2PRSS1HPN
SCHEMBL7395852 0.80 F10 (0.52) S1PR1F10F2PRSS1HPN
SCHEMBL7280320 0.79 KHK (0.48) SMN1; SMN2S1PR1F10EPHX2HRH3
Hydrochloric Acid SCHEMBL7283493 0.78 ITGB3 (0.48) S1PR1F10F2PRSS1
SCHEMBL7273740 0.77 S1PR1 (0.48) SMN1; SMN2S1PR1F10F2PRSS1

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 6 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
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
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