SCHEMBL17090485

SCHEMBL17090485

Cc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NCc1ccc(NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
NAMPT P43490 2/20 0.37
GHSR Q92847 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 1/20 0.36
EPHX2 P34913 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
MLKL Q8NB16 1/20 0.34
PTPRB P23467 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL17090458 0.86 GHSR (0.40) PPARALMNAALDH1A1CYP1A2ALOX15
SCHEMBL17090477 0.84 PPARA (0.38) PPARALMNAALDH1A1CYP1A2ALOX15
SCHEMBL10116713 0.82 ALDH1A1 (0.43) LMNAALDH1A1CYP2C19NAMPTEPHX2
SCHEMBL13565069 0.81 ALDH1A1 (0.53) PPARALMNAALDH1A1CYP1A2ALOX15
SCHEMBL11936029 0.80 PPID (0.45) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL13566060 0.79 PTK2 (0.41) PPARALMNAALDH1A1CYP1A2ALOX15
SCHEMBL17090505 0.78 NR3C1 (0.39) PPARALMNAALDH1A1CYP1A2ALOX15
SCHEMBL17090463 0.77 LMNA (0.41) PPARALMNAALDH1A1CYP1A2ALOX15
SCHEMBL17090103 0.76 ALDH1A1 (0.43) PPARALMNAALDH1A1CYP1A2ALOX15
SCHEMBL11936085 0.76 NAMPT (0.46) PPARALMNAALDH1A1CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed