SCHEMBL846696

SCHEMBL846696

O=C(Nc1cnc2ccccc2c1Cl)c1ccc2c(ccn2C2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.43
MAPT P10636 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.38
EGFR P00533 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL846098 0.85 KDM4C (0.41) MAPTNPC1ALDH1A1GAATP53
SCHEMBL844640 0.84 HDAC1 (0.41) NPC1ALDH1A1MEN1KMT2A
SCHEMBL844641 0.84 HDAC1 (0.41) NPC1ALDH1A1MEN1KMT2A
SCHEMBL846141 0.82 MAPT (0.42) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL846901 0.81 TRPV1 (0.61) MAPTHPGDNPC1ALDH1A1TRPV1
SCHEMBL846132 0.78 BCHE (0.45) BCHETP53
SCHEMBL846606 0.78 NPC1 (0.42) BCHENPC1TP53
SCHEMBL846205 0.72 TRPV1 (0.45) BCHETRPV1MEN1KMT2A
SCHEMBL846204 0.72 TRPV1 (0.64) BCHETRPV1MEN1KMT2A
SCHEMBL846056 0.72 BCHE (0.52) BCHEMAPTNPC1TP53MEN1

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 3 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 claimed
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