SCHEMBL847501

SCHEMBL847501

CN1CCCc2cc(OC(=O)Nc3cnc4ccccc4c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 1/20 0.48
ACHE P22303 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP30 Q70CQ3 1/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
KDR P35968 1/20 0.42
NOTUM Q6P988 1/20 0.42
LMNA P02545 1/20 0.42
MITF O75030 1/20 0.42
XBP1 P17861 1/20 0.42
PAX8 Q06710 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
SCHEMBL846407 0.94 NPC1 (0.47) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL846419 0.86 ACHE (0.47) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL846869 0.85 NOTUM (0.50) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL846566 0.84 HSD17B10 (0.44) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL859840 0.84 NPC1 (0.50) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL846429 0.83 NPC1 (0.57) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL846954 0.82 TRPV1 (0.45) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL846445 0.81 KDM4E (0.48) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL846528 0.81 KDR (0.48) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL846485 0.81 HSD17B10 (0.43) KDM4ENPC1RAB9AHSD17B10SMN1; 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