SCHEMBL4735255

SCHEMBL4735255

CCN(CC)Cc1ccc(CNC(=O)c2ccc(F)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.56
MCHR1 Q99705 2/20 0.56
BCHE P06276 9/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
EPHX2 P34913 1/20 0.46
PPARG P37231 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
SCHEMBL3069103 0.83 L3MBTL1 (0.52) HTR2CMCHR1L3MBTL1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4736117 0.82 L3MBTL1 (0.51) HTR2CMCHR1L3MBTL1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4782319 0.82 L3MBTL1 (0.51) HTR2CMCHR1L3MBTL1LMNASMN1; SMN2
SCHEMBL4735454 0.80 L3MBTL1 (0.55) MCHR1L3MBTL1LMNASMN1; SMN2EPHX2
SCHEMBL4735257 0.79 AURKA (0.52) HTR2CMCHR1BCHEL3MBTL1LMNA
SCHEMBL4740304 0.78 LMNA (0.51) HTR2CMCHR1BCHEL3MBTL1LMNA
SCHEMBL3071309 0.77 SMN1; SMN2 (0.46) HTR2CMCHR1L3MBTL1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3058950 0.77 SMN1; SMN2 (0.46) HTR2CMCHR1L3MBTL1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3066991 0.77 SMN1; SMN2 (0.46) HTR2CMCHR1L3MBTL1LMNASMN1; SMN2
SCHEMBL12444447 0.75 L3MBTL1 (0.57) L3MBTL1LMNASMN1; 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