SCHEMBL7280838

SCHEMBL7280838

COC(=O)CCc1ccc(N2CCN(c3ccc(C(C)(C)N)cc3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.44
HRH3 Q9Y5N1 1/20 0.41
S1PR1 P21453 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
EPHX2 P34913 1/20 0.36
RAB9A P51151 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL7272906 0.88 F10 (0.42) HDAC1HRH3S1PR1EPHX2
SCHEMBL7283153 0.86 S1PR1 (0.50) HDAC1S1PR1PPARDPPARAEPHX2
SCHEMBL7283243 0.85 HRH3 (0.44) HDAC1HRH3S1PR1EPHX2
SCHEMBL7281838 0.85 HRH3 (0.44) HDAC1HRH3S1PR1EPHX2
Hydrochloric Acid SCHEMBL7282229 0.84 HRH3 (0.43) HDAC1HRH3S1PR1EPHX2
SCHEMBL27397736 0.84 MEN1 (0.51) HDAC1HRH3S1PR1RAB9A
SCHEMBL7280993 0.81 HDAC1 (0.46) HDAC1HRH3S1PR1
SCHEMBL7283131 0.81 HRH3 (0.43) HDAC1HRH3S1PR1EPHX2
SCHEMBL8912121 0.81 HRH3 (0.41) HDAC1HRH3S1PR1EPHX2
SCHEMBL7282903 0.81 HDAC1 (0.53) HDAC1HRH3S1PR1EPHX2

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