SCHEMBL22570710

SCHEMBL22570710

COc1ccc(C(=O)CN)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.51
TAS1R1 Q7RTX1 8/20 0.51
PDE4D Q08499 1/20 0.50
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
CTNNB1 P35222 1/20 0.46

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
Hydrochloric Acid SCHEMBL29393777 0.98 TAS1R3 (0.50) TAS1R3TAS1R1PDE4DMAPTPOLB
SCHEMBL6329414 0.85 TAS1R3 (0.53) TAS1R3TAS1R1PDE4DMAPTPOLB
SCHEMBL6136939 0.85 TAS1R3 (0.53) TAS1R3TAS1R1PDE4DMAPTPOLB
SCHEMBL12780432 0.85 MEN1 (0.59) TAS1R3TAS1R1PDE4DMAPTPOLB
SCHEMBL1260548 0.84 TSHR (0.63) PDE4DMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL9155650 0.83 PDE4D (0.54) TAS1R3TAS1R1PDE4DMAPTPOLB
SCHEMBL2166529 0.83 GSK3B (0.54) TAS1R3TAS1R1PDE4DMAPTPOLB
SCHEMBL29620782 0.83 GSK3B (0.54) TAS1R3TAS1R1PDE4DMAPTPOLB
Hydrochloric Acid SCHEMBL29112504 0.83 TSHR (0.61) PDE4DMAPTKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4512041 0.83 TSHR (0.61) PDE4DMAPTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022083853-A1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR GBIOTECH S.À.R.L. (CH) 2022-04-28 WO disclosed
EP-3956323-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Gbiotech S.À.R.L. (CH) 2022-02-23 EP disclosed
WO-2020211956-A1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 GBIOTECH S.À.R.L. (CH) 2020-10-22 WO disclosed