SCHEMBL169458

SCHEMBL169458

CCC(C)B(C(C)CC)C(C)CC.Cc1cc(Br)ccc1[C@H](C)N.[LiH]

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL8164587 0.83 LMNA (0.41) CA1CA2HTTLMNATP53
SCHEMBL31683734 0.83 LMNA (0.41) CA1CA2HTTLMNATP53
SCHEMBL16793738 0.83 LMNA (0.41) CA1CA2HTTLMNATP53
SCHEMBL121332 0.83 LMNA (0.41) CA1CA2HTTLMNATP53
SCHEMBL31683735 0.83 LMNA (0.41) CA1CA2HTTLMNATP53
Hydrochloric Acid SCHEMBL29873729 0.82 LMNA (0.39) CA1CA2HTTLMNATP53
Hydrochloric Acid SCHEMBL22659697 0.82 LMNA (0.39) CA1CA2HTTLMNATP53
Hydrochloric Acid SCHEMBL22659695 0.82 LMNA (0.39) CA1CA2HTTLMNATP53
Hydrochloric Acid SCHEMBL117063 0.82 LMNA (0.39) CA1CA2HTTLMNATP53
SCHEMBL169457 0.78 EPHX1 (0.33) DPP8DPP9DPP7CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424865-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
EP-2324018-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010127237-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed