SCHEMBL846869

SCHEMBL846869

CC(=O)N1CCc2cc(OC(=O)Nc3cnc4ccccc4c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 3/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
TRIM24 O15164 4/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
KMT2A Q03164 1/20 0.44
SYK P43405 1/20 0.44
SLC2A1 P11166 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP30 Q70CQ3 1/20 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
SCHEMBL846528 0.89 KDR (0.48) KDM4ENPC1HSD17B10SMN1; SMN2RAB9A
SCHEMBL846407 0.88 NPC1 (0.47) NOTUMKDM4ENPC1HSD17B10SMN1; SMN2
SCHEMBL846485 0.88 HSD17B10 (0.43) NOTUMKDM4ENPC1HSD17B10SMN1; SMN2
SCHEMBL846565 0.86 SMN1; SMN2 (0.47) KDM4ENPC1HSD17B10SMN1; SMN2RAB9A
SCHEMBL847501 0.85 KDM4E (0.48) NOTUMKDM4ENPC1HSD17B10SMN1; SMN2
SCHEMBL846566 0.84 HSD17B10 (0.44) NOTUMKDM4ENPC1HSD17B10SMN1; SMN2
SCHEMBL845788 0.83 NPC1 (0.57) KDM4ENPC1SMN1; SMN2RAB9ATP53
SCHEMBL846954 0.82 TRPV1 (0.45) NOTUMKDM4ENPC1HSD17B10SMN1; SMN2
SCHEMBL846445 0.81 KDM4E (0.48) KDM4ENPC1HSD17B10SMN1; SMN2RAB9A
SCHEMBL859840 0.79 NPC1 (0.50) NOTUMKDM4ENPC1HSD17B10SMN1; 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
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed