SCHEMBL4084440

SCHEMBL4084440

Oc1cc(Cl)c(C[C@H]2CCCN(O)C2)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
SCN9A Q15858 2/20 0.33
EPHX2 P34913 2/20 0.31
HPGD P15428 2/20 0.31
DBH P09172 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SPR P35270 1/20 0.30
ACLY P53396 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
SCHEMBL4084448 1.00 CYP3A4 (0.33) CYP3A4SCN9AEPHX2HPGDDBH
SCHEMBL3908752 0.75 ACLY (0.30) ACLY
SCHEMBL5504186 0.67 F10 (0.35)
Hydrochloric Acid SCHEMBL15650709 0.67 CARM1 (0.54)
SCHEMBL18739929 0.63
SCHEMBL4181628 0.63
SCHEMBL2065090 0.62 ESR1 (0.32)
SCHEMBL209343 0.62 HSD11B1 (0.54)
SCHEMBL2065091 0.62 ESR1 (0.32)
SCHEMBL18091008 0.62 AKR1C3 (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-2016071-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP disclosed
WO-2007127765-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed