SCHEMBL4070181

SCHEMBL4070181

N#Cc1c(Cl)cc(-c2ccc(C(C3CCCCC3)C3CCNC3=O)cc2)c(Cl)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
IDO1 P14902 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL208914 0.75 PGR (0.37)
SCHEMBL2998442 0.75 PGR (0.37) SLC6A3
SCHEMBL4065131 0.73 SLC6A3 (0.33) SLC6A3SLC6A2SLC6A4
SCHEMBL3543018 0.70 PRMT5 (0.39) SLC6A3GRM2
SCHEMBL3550340 0.70 PTGS2 (0.35) SLC6A3
SCHEMBL3547821 0.70 BACE1 (0.40)
Hydrochloric Acid SCHEMBL3549200 0.69 BACE1 (0.40)
SCHEMBL5507890 0.67 SLC6A3 (0.31) SLC6A3
SCHEMBL209307 0.67 PDE4D (0.41) SLC6A3
SCHEMBL208546 0.67 PARP10 (0.37)

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
EP-2016047-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP disclosed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed