SCHEMBL846229

SCHEMBL846229

O=C(/C=C/c1ccc(N2CCCCCC2)cc1)Nc1cnc2ccccc2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.45
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL846230 1.00 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL846056 0.82 BCHE (0.52) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL846183 0.80 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL846184 0.80 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL846660 0.79 NPC1 (0.56) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL846661 0.79 NPC1 (0.56) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL846143 0.78 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL846144 0.78 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL846918 0.76 RAB9A (0.44) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL846919 0.76 RAB9A (0.44) MAPTNPC1RAB9ASMN1; SMN2MEN1

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
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed