SCHEMBL169457

SCHEMBL169457

CCC(C)B(C(C)CC)C(C)CC.[Li][C@H](C(N)=O)c1ccc(Br)cc1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.33
HTT P42858 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
DHODH Q02127 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
RAB9A P51151 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
SCHEMBL169458 0.78 DPP8 (0.32) HTTDPP8DPP9DPP7CA1
SCHEMBL3472223 0.75 EPHX1 (0.36) EPHX1HTTDPP8DPP9DPP7
SCHEMBL31646465 0.68 FLT1 (0.38) EPHX1DHODH
SCHEMBL9828746 0.68 MAPT (0.36) EPHX1DHODH
SCHEMBL1357313 0.67 HTT (0.39) HTT
SCHEMBL16744658 0.67 HTT (0.39) HTT
SCHEMBL8169224 0.67 HTT (0.39) HTT
SCHEMBL2502966 0.67 CA1 (0.36) HTTCA1CA2
SCHEMBL31717992 0.67 CA1 (0.36) HTTCA1CA2
SCHEMBL12248175 0.67 CA1 (0.36) HTTCA1CA2

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