SCHEMBL7280993

SCHEMBL7280993

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
S1PR1 P21453 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL7274200 0.88 HDAC1 (0.43) HDAC1KMT2AALDH1A1HRH3S1PR1
SCHEMBL7274204 0.88 HDAC1 (0.43) HDAC1KMT2AALDH1A1HRH3S1PR1
SCHEMBL27397736 0.87 MEN1 (0.51) HDAC1KMT2AALDH1A1HRH3S1PR1
SCHEMBL7281838 0.86 HRH3 (0.44) HDAC1MAPTHRH3S1PR1
SCHEMBL7283243 0.86 HRH3 (0.44) HDAC1MAPTHRH3S1PR1
Hydrochloric Acid SCHEMBL7272547 0.85 ITGB3 (0.53) HDAC1HRH3
SCHEMBL7283797 0.85 HDAC1 (0.43) HDAC1MAPTHRH3S1PR1
Hydrochloric Acid SCHEMBL7282229 0.85 HRH3 (0.43) HDAC1MAPTHRH3S1PR1
SCHEMBL7283131 0.85 HRH3 (0.43) HDAC1MAPTHRH3S1PR1L3MBTL1
SCHEMBL7274577 0.84 HDAC1 (0.42) HDAC1ALDH1A1MAPTHRH3S1PR1

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