SCHEMBL846565

SCHEMBL846565

O=C(Nc1cnc2ccccc2c1)Oc1ccc2c(c1)CCN2C(=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL846445 0.87 KDM4E (0.48) SMN1; SMN2TP53HSD17B10KDM4ERAB9A
SCHEMBL846869 0.86 NOTUM (0.50) SMN1; SMN2TP53HSD17B10KDM4ERAB9A
SCHEMBL845762 0.85 TRPV1 (0.58) SMN1; SMN2TP53HSD17B10KDM4ERAB9A
SCHEMBL846528 0.85 KDR (0.48) SMN1; SMN2TP53HSD17B10KDM4ERAB9A
SCHEMBL846485 0.82 HSD17B10 (0.43) SMN1; SMN2TP53HSD17B10KDM4ERAB9A
SCHEMBL846407 0.82 NPC1 (0.47) SMN1; SMN2TP53HSD17B10KDM4ERAB9A
SCHEMBL847501 0.81 KDM4E (0.48) SMN1; SMN2TP53HSD17B10KDM4ERAB9A
SCHEMBL846566 0.79 HSD17B10 (0.44) SMN1; SMN2TP53HSD17B10KDM4ERAB9A
SCHEMBL859840 0.78 NPC1 (0.50) SMN1; SMN2TP53HSD17B10KDM4ERAB9A
SCHEMBL846954 0.77 TRPV1 (0.45) SMN1; SMN2TP53HSD17B10KDM4ERAB9A

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