SCHEMBL4904764

SCHEMBL4904764

CC(C)c1ccc(N(C)C(=O)C2CCCCN2C(=O)OC(C)(C)C)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 10/20 0.46
UCHL1 P09936 5/20 0.46
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4875392 0.86 USP30 (0.47) USP30UCHL1LMNANPSR1NPC1
SCHEMBL3179424 0.81 NPC1 (0.51) USP30NPC1ALDH1A1RAB9AMAPT
SCHEMBL22315139 0.77 USP30 (0.52) USP30UCHL1LMNANPSR1NPC1
SCHEMBL27730506 0.74 PDK2 (0.38) USP30NPC1ALDH1A1RAB9AMAPT
SCHEMBL3835668 0.74 USP30 (0.55) USP30UCHL1LMNANPSR1NPC1
SCHEMBL28618685 0.73 USP30 (0.52) USP30UCHL1LMNANPSR1NPC1
SCHEMBL26364475 0.73 USP30 (0.48) USP30UCHL1LMNANPSR1NPC1
SCHEMBL28151987 0.73 USP30 (0.52) USP30UCHL1LMNANPSR1NPC1
SCHEMBL5427850 0.72 HSD17B10 (0.52) USP30UCHL1LMNANPSR1NPC1
SCHEMBL5427853 0.72 HSD17B10 (0.52) USP30UCHL1LMNANPSR1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890696-A2 NOVEL 3-SPIROCYCLIC INDOLYL DERIVATIVES USEFUL AS ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 EP disclosed
WO-2006130416-A2 NOVEL 3-SPIROCYCLIC INDOLYL DERIVATIVES USEFUL AS ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO disclosed