SCHEMBL4454198

SCHEMBL4454198

CCOC(=O)n1ncc2c(N(C(=O)O)c3ccccc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TP53 P04637 1/20 0.41
ELANE P08246 10/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PAX8 Q06710 1/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KMT2A Q03164 3/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL4215088 0.75 TP53 (0.46) NPC1RAB9ATP53ELANEF2
SCHEMBL28337035 0.73 ELANE (0.50) NPC1RAB9AELANEKDM4EF2
SCHEMBL5120623 0.71 HSD17B10 (0.56) NPC1RAB9AELANEKDM4EF2
SCHEMBL4787612 0.71 NPC1 (0.47) NPC1RAB9ATP53ELANEF2
SCHEMBL1981917 0.69 TP53 (0.44) NPC1RAB9ATP53ELANEKDM4E
SCHEMBL21874382 0.68 HDAC1 (0.41) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL28335619 0.67 NPSR1 (0.50) NPC1RAB9APAX8KMT2AMEN1
SCHEMBL6438919 0.67 TRPV1 (0.50) NPC1RAB9ATP53KDM4EMAPT
SCHEMBL11121496 0.67 HPGD (0.54) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL11041208 0.67 ALDH1A1 (0.52) NPC1RAB9ATP53KDM4EMAPT

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
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed