SCHEMBL27742201

SCHEMBL27742201

C[S+]([O-])c1ccc(-c2noc(COC3CCN(OC(=O)C(C)(C)C)CC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.56
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NAMPT P43490 1/20 0.38
NAAA Q02083 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 3/20 0.36
CHRM3 P20309 1/20 0.36
MAPK1 P28482 1/20 0.36
SCN9A Q15858 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4422093 0.86 GPR119 (0.75) GPR119ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL27742207 0.86 GPR119 (0.57) GPR119ALDH1A1NPC1RAB9ANAMPT
SCHEMBL4609180 0.86 GPR119 (0.58) GPR119ALDH1A1NPC1RAB9ANAMPT
SCHEMBL27721316 0.81 GPR119 (0.51) GPR119ALDH1A1NPC1RAB9ANAMPT
SCHEMBL4415731 0.81 GPR119 (0.57) GPR119ALDH1A1NPC1RAB9ANAMPT
SCHEMBL27742198 0.81 GPR119 (0.61) GPR119ALDH1A1NPC1RAB9ANAMPT
SCHEMBL13598241 0.81 GPR119 (0.61) GPR119ALDH1A1NPC1RAB9ANAAA
SCHEMBL27721530 0.80 GPR119 (0.52) GPR119ALDH1A1NPC1RAB9ANAMPT
SCHEMBL27721339 0.80 GPR119 (0.52) GPR119ALDH1A1NPC1RAB9ANAMPT
SCHEMBL14640645 0.78 NAAA (0.44) GPR119ALDH1A1NPC1RAB9ANAAA

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-101287729-A GPCR agonists PROSIDION LTD (GB) 2008-10-15 CN disclosed