SCHEMBL29123341

SCHEMBL29123341

CC(C)c1cn(C(=O)O)c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.50
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP30 Q70CQ3 1/20 0.40
CACNB4 O00305 2/20 0.40
CACNA1A O00555 2/20 0.40
CACNA1G O43497 2/20 0.40
CACNG3 O60359 2/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNB3 P54284 2/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNG7 P62955 2/20 0.40
CACNA1B Q00975 2/20 0.40
CACNA1D Q01668 2/20 0.40

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
SCHEMBL29897166 0.95 GPR119 (0.51) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL21060104 0.95 GPR119 (0.51) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL29897174 0.81 ALOX5AP (0.41) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL21060372 0.81 ALOX5AP (0.41) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL29123035 0.77 TRPV3 (0.42) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL21060073 0.75 HTR6 (0.36) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL30675181 0.75 HTR6 (0.36) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL21062702 0.75 GPR119 (0.50) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL30619899 0.75 GPR119 (0.50) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL21060414 0.74 ALOX5AP (0.39) GPR119NPC1ALDH1A1MAPTMAPK1

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
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN disclosed
CN-111819176-A 4-azaindole compounds 百时美施贵宝公司 2020-10-23 CN disclosed