SCHEMBL4740304

SCHEMBL4740304

CCN(CC)c1ncc(CNC(=O)c2ccc(F)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTR2C P28335 1/20 0.49
MCHR1 Q99705 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK14 Q16539 1/20 0.48
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
BCHE P06276 1/20 0.45
POLB P06746 1/20 0.44
IDO1 P14902 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
SCHEMBL3069103 0.85 L3MBTL1 (0.52) LMNAL3MBTL1HTR2CMCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4736117 0.84 L3MBTL1 (0.51) LMNAL3MBTL1HTR2CMCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4782319 0.84 L3MBTL1 (0.51) LMNAL3MBTL1HTR2CMCHR1SMN1; SMN2
SCHEMBL3816827 0.80 LMNA (0.63) LMNAL3MBTL1SMN1; SMN2CYP3A4MAPK14
Hydrochloric Acid SCHEMBL4736121 0.78 LMNA (0.62) LMNAL3MBTL1SMN1; SMN2CYP3A4MAPK14
SCHEMBL4735255 0.78 HTR2C (0.56) LMNAL3MBTL1HTR2CMCHR1SMN1; SMN2
SCHEMBL4735454 0.76 L3MBTL1 (0.55) LMNAL3MBTL1MCHR1SMN1; SMN2CYP3A4
SCHEMBL4740307 0.76 AURKA (0.50) LMNAHTR2CSMN1; SMN2MAPK14CTNNB1
SCHEMBL6077802 0.75 L3MBTL1 (0.77) LMNAL3MBTL1SMN1; SMN2CYP3A4MAPK14
SCHEMBL3071309 0.74 SMN1; SMN2 (0.46) LMNAL3MBTL1HTR2CMCHR1SMN1; SMN2

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed