SCHEMBL6943817

SCHEMBL6943817

CC(C)(C)OC(=O)N1CCN(c2ccc(-n3cnn(Cc4ccc(C(F)(F)F)cc4)c3=O)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.60
PPARA Q07869 15/20 0.60
PPARG P37231 10/20 0.55
DGAT1 O75907 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1459696 0.81 MAPT (0.64) SMN1; SMN2HTTNPSR1MEN1CYP2C19
SCHEMBL6944995 0.81 MAPT (0.48) DGAT1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL7331958 0.78 MAPT (0.46) PPARDPPARADGAT1SMN1; SMN2HTT
SCHEMBL24989582 0.78 MAPT (0.60) SMN1; SMN2HTTNPSR1MEN1CYP2C19
SCHEMBL5231271 0.77 MAPT (0.67) SMN1; SMN2HTTNPSR1MEN1CYP2C19
SCHEMBL12041673 0.77 GPR119 (0.57) PPARDPPARASMN1; SMN2HTTNPSR1
SCHEMBL6943134 0.76 DGAT1 (0.58) DGAT1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL5546576 0.76 L3MBTL1 (0.62) PPARDPPARAGPR119MAPT
SCHEMBL27233423 0.75 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL6936628 0.75 SMN1; SMN2 (0.68) DGAT1SMN1; SMN2HTTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP disclosed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US disclosed