SCHEMBL4373210

SCHEMBL4373210

[CH2]c1ccc(CNC(=O)OC(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNA1C Q13936 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
GRM2 Q14416 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NAMPT P43490 2/20 0.42
GAA P10253 1/20 0.41
KDM4A O75164 1/20 0.41
HDAC1 Q13547 1/20 0.41
TSHR P16473 1/20 0.40
GLS O94925 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39

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
SCHEMBL10163768 0.85 HDAC1 (0.49) CACNA1HCACNA1BCACNA1CL3MBTL1GRM2
SCHEMBL29726447 0.84 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CL3MBTL1GRM2
SCHEMBL15385130 0.83 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CL3MBTL1GRM2
SCHEMBL23273951 0.82 CACNA1H (0.44) CACNA1HCACNA1BCACNA1CL3MBTL1GRM2
SCHEMBL10232987 0.82 BRD9 (0.48) CACNA1HCACNA1BCACNA1CL3MBTL1GRM2
SCHEMBL24970178 0.82 NOTUM (0.48) CACNA1HCACNA1BCACNA1CL3MBTL1GRM2
SCHEMBL1726030 0.82 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CL3MBTL1GRM2
SCHEMBL31142856 0.82 NOTUM (0.48) CACNA1HCACNA1BCACNA1CL3MBTL1GRM2
SCHEMBL23274113 0.81 RXRA (0.48) CACNA1HCACNA1BCACNA1C
SCHEMBL8247726 0.79 CACNA1H (0.43) CACNA1HCACNA1BCACNA1CL3MBTL1GRM2

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed