SCHEMBL5822872

SCHEMBL5822872

CCC(C)(C)n1cc(C(=O)NCc2ccc(C(F)(F)F)nc2)c2cnc(Nc3ccc(C)cc3)nc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.41
KLKB1 P03952 1/20 0.38
CAMK2D Q13557 1/20 0.37
PDE2A O00408 1/20 0.37
NAMPT P43490 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLS O94925 1/20 0.36

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
SCHEMBL3811826 0.90 KMT2A (0.39) KLKB1PDE2AGLS
SCHEMBL5822386 0.86 CNR2 (0.42) CNR2KLKB1NAMPTCYP1A2CYP3A4
SCHEMBL27714954 0.86 KMT2A (0.47)
SCHEMBL3822101 0.82 KMT2A (0.40) KLKB1PDE2ANAMPTGLS
SCHEMBL27735796 0.80 PTK2 (0.41) CAMK2D
SCHEMBL27714952 0.78 WEE1 (0.44) CAMK2D
SCHEMBL3816625 0.77 TRPV1 (0.38) NAMPTGLS
SCHEMBL3820599 0.76 KMT2A (0.39) KLKB1CYP2C9GLS
SCHEMBL5822504 0.75 TRPV1 (0.45) CNR2
SCHEMBL3812466 0.74 DGAT2 (0.39) GLS

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
CN-101252935-A Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions containing them, and methods of their use LEXICON GENETICS INC (US) 2008-08-27 CN disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed