SCHEMBL5822386

SCHEMBL5822386

CCCn1cc(C(=O)NCc2ccc(C(F)(F)F)nc2)c2cnc(Nc3ccc(C)cc3)nc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.42
CSF1R P07333 1/20 0.39
KLKB1 P03952 1/20 0.39
PDE10A Q9Y233 1/20 0.39
GLS O94925 1/20 0.38
ELANE P08246 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
NAMPT P43490 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3820599 0.90 KMT2A (0.39) KLKB1PDE10AGLSELANECYP2C9
SCHEMBL5822872 0.86 CNR2 (0.41) CNR2KLKB1GLSNAMPTCYP1A2
SCHEMBL3821871 0.79 GLS (0.39) KLKB1PDE10AGLSELANECDK2
SCHEMBL3822101 0.76 KMT2A (0.40) CSF1RKLKB1GLSNAMPT
SCHEMBL3811826 0.76 KMT2A (0.39) KLKB1GLS
SCHEMBL27714954 0.72 KMT2A (0.47) PDE10A
SCHEMBL3816625 0.71 TRPV1 (0.38) CSF1RGLSNAMPT
SCHEMBL5822504 0.69 TRPV1 (0.45) CNR2PDE10A
SCHEMBL3812466 0.69 DGAT2 (0.39) GLS
SCHEMBL3813771 0.67 KMT2A (0.44) CNR2PDE10A

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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed