SCHEMBL8777955

SCHEMBL8777955

CCCCCCCN(C)C(=O)Nc1ccc(F)cc1N

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.60
HDAC3 O15379 2/20 0.60
SOAT1 P35610 2/20 0.51
HTT P42858 1/20 0.48
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48
PPARD Q03181 1/20 0.46
SOAT2 O75908 1/20 0.44

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
SCHEMBL8778076 0.81 KCNMA1 (0.46) SOAT1PPARGPPARA
SCHEMBL13811051 0.79 ICMT (0.57) HDAC1HDAC3HTTPPARGPPARA
SCHEMBL27757715 0.79 HDAC1 (0.62) HDAC1HDAC3
SCHEMBL2618087 0.78 HDAC1 (0.64) HDAC1HDAC3
SCHEMBL8777922 0.77 EPHX2 (0.66) HDAC1HDAC3HTT
SCHEMBL1937892 0.75 HDAC1 (1.00) HDAC1HDAC3
SCHEMBL8777844 0.74 SOAT1 (0.44) HDAC1HDAC3SOAT1PPARGPPARA
SCHEMBL9152529 0.74 SOAT1 (0.67) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL9257327 0.73 SOAT1 (0.86) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL9157883 0.73 SOAT1 (0.66) SOAT1PPARGPPARAPPARDSOAT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed