SCHEMBL499619

SCHEMBL499619

C[C@@H](C(N(C)C(=O)O)C(C)(C)C)[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.39
GAA P10253 1/20 0.38
NPY5R Q15761 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 2/20 0.38
ACP3 P15309 1/20 0.38
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
AOC3 Q16853 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH1 P35367 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL499094 1.00 TRPM8 (0.39) TRPM8GAANPY5RSLC6A2SLC6A4
SCHEMBL3336585 0.73 AOC3 (0.45) TRPM8SLC6A2SLC6A4AOC3KDM4E
SCHEMBL4822741 0.73 AOC3 (0.45) TRPM8SLC6A2SLC6A4AOC3KDM4E
SCHEMBL3337325 0.73 AOC3 (0.45) TRPM8SLC6A2SLC6A4AOC3KDM4E
SCHEMBL3336584 0.73 AOC3 (0.45) TRPM8SLC6A2SLC6A4AOC3KDM4E
SCHEMBL28951519 0.71 ACP3 (0.46) SLC6A2SLC6A4ACP3LMNAHIF1A
SCHEMBL29403128 0.69 ACP3 (0.50) SLC6A2SLC6A4ACP3LMNAAOC3
SCHEMBL11606577 0.69 ACP3 (0.50) SLC6A2SLC6A4ACP3LMNAAOC3
Oxalic Acid SCHEMBL27380050 0.69 MEN1 (0.49) TRPM8ACP3ALDH1A1HPGDADRB2
SCHEMBL11291446 0.69 MEN1 (0.50) TRPM8ACP3LMNAHIF1AKDM4E

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
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed