SCHEMBL4065131

SCHEMBL4065131

O=C(O)c1ccc(-c2ccc(C(C3CCCCC3)C3CCNC3=O)cc2)c(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.32
P2RX7 Q99572 2/20 0.31
CAMKK2 Q96RR4 1/20 0.31
APP P05067 1/20 0.30
PRKAB2 O43741 2/20 0.30
PRKAG1 P54619 2/20 0.30
PRKAA2 P54646 2/20 0.30
PRKAA1 Q13131 2/20 0.30
PRKAG3 Q9UGI9 2/20 0.30
PRKAG2 Q9UGJ0 2/20 0.30
PRKAB1 Q9Y478 2/20 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
SCHEMBL4241674 0.82
SCHEMBL5507890 0.81 SLC6A3 (0.31) SLC6A3APP
SCHEMBL210558 0.76 CNR2 (0.43) ALDH1A1P2RX7
SCHEMBL208946 0.75 P2RX7 (0.38) ALDH1A1P2RX7
SCHEMBL209307 0.74 PDE4D (0.41) SLC6A3ALDH1A1
SCHEMBL3002602 0.73 LDHA (0.36)
SCHEMBL4070181 0.73 SLC6A3 (0.33) SLC6A3SLC6A2SLC6A4
SCHEMBL2988655 0.72 PDE4D (0.38) SLC6A3ALDH1A1
SCHEMBL3001203 0.72 FFAR4 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2993023 0.71 PDE4D (0.37) SLC6A3ALDH1A1

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