SCHEMBL846183

SCHEMBL846183

O=C(/C=C/c1ccc(N2CCCCCC2)cc1)Nc1cc2ccccc2nc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
USP2 O75604 1/20 0.48
RECQL P46063 1/20 0.48
MCL1 Q07820 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
PTGS2 P35354 1/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
HDAC1 Q13547 2/20 0.43

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
SCHEMBL846184 1.00 MAPT (0.58) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL846284 0.81 RAB9A (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL846144 0.81 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL846143 0.81 MAPT (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL847085 0.80 TRPV1 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL847086 0.80 TRPV1 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL846230 0.80 MAPT (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL846229 0.80 MAPT (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL845796 0.77 HCAR2 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL845795 0.77 HCAR2 (0.43) NPC1RAB9AMEN1KMT2ASMN1; 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 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