SCHEMBL7272906

SCHEMBL7272906

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
HDAC1 Q13547 7/20 0.40
HRH3 Q9Y5N1 1/20 0.39
S1PR1 P21453 1/20 0.39
EPHX2 P34913 1/20 0.35
F2 P00734 1/20 0.35
PTPN1 P18031 1/20 0.34
MAPT P10636 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 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
SCHEMBL7280838 0.88 HDAC1 (0.44) HDAC1HRH3S1PR1EPHX2
SCHEMBL7282165 0.87 S1PR1 (0.48) F10HDAC1HRH3S1PR1EPHX2
SCHEMBL7283243 0.86 HRH3 (0.44) HDAC1HRH3S1PR1EPHX2MAPT
SCHEMBL7281838 0.86 HRH3 (0.44) HDAC1HRH3S1PR1EPHX2MAPT
Hydrochloric Acid SCHEMBL7282229 0.84 HRH3 (0.43) HDAC1HRH3S1PR1EPHX2MAPT
SCHEMBL27397736 0.82 MEN1 (0.51) HDAC1HRH3S1PR1PTPN1
Propylamine SCHEMBL8911200 0.81 S1PR1 (0.44) HDAC1HRH3S1PR1MAPT
Hydrochloric Acid SCHEMBL7272819 0.80 HRH3 (0.44) F10HDAC1HRH3S1PR1EPHX2
SCHEMBL7280993 0.80 HDAC1 (0.46) HDAC1HRH3S1PR1MAPT
SCHEMBL7283131 0.80 HRH3 (0.43) HDAC1HRH3S1PR1EPHX2MAPT

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