SCHEMBL29183201

SCHEMBL29183201

CC(C)(CNC1CCN(C(=O)OC(C)(C)C)CC1)COc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 7/20 0.53
SSTR1 P30872 4/20 0.53
STS P08842 3/20 0.51
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP30 Q70CQ3 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
USP2 O75604 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL21748545 0.84 SSTR4 (0.76) SSTR4SSTR1
SCHEMBL8182207 0.82 ADRB2 (0.52) SSTR4SSTR1STSALDH1A1NPC1
SCHEMBL4573880 0.82 ADRB2 (0.52) SSTR4SSTR1STSALDH1A1NPC1
SCHEMBL22265811 0.79 KDM4E (0.54) SSTR4SSTR1STSMAPTGPR119
SCHEMBL69764 0.78 MAPT (0.54) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL5994005 0.77 STS (0.54) STSALDH1A1NPC1MAPTMAPK1
SCHEMBL68971 0.76 KDM1A (0.56) STSGPR119MEN1KMT2A
SCHEMBL4499579 0.75 RBP4 (0.53) SSTR4SSTR1STSGPR119KDM4E
SCHEMBL21774914 0.75 SSTR4 (0.76) SSTR4SSTR1
SCHEMBL29183193 0.75 SSTR4 (0.76) SSTR4SSTR1

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
CN-112236423-B Piperidinyl-3- (aryloxy) propanamides and propionic acid esters 武田药品工业株式会社 2024-02-06 CN disclosed