SCHEMBL5503535

SCHEMBL5503535

O=C(NC1CCNCC1)c1cccc(-c2ccc(C(C3CCCCC3)C3CCNC3=O)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ERN1 O75460 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
CNR2 P34972 2/20 0.39
HTT P42858 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.37

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
Hydrochloric Acid SCHEMBL5503567 0.99 MAPK14 (0.43) MAPK14MAPK8MAPK10RAB9ANPC1
SCHEMBL4062030 0.92 CNR2 (0.41) RAB9ANPC1CNR2SMYD3SMN1; SMN2
SCHEMBL2999256 0.88 PDE4D (0.41) RAB9ANPC1ERN1
Trifluoroacetic Acid SCHEMBL5504877 0.87 HDAC4 (0.41) RAB9ANPC1CNR2SMYD3SMN1; SMN2
SCHEMBL5503539 0.86 NPC1 (0.38) MAPK14RAB9ANPC1ERN1CNR2
SCHEMBL2994515 0.85 HPGD (0.41) SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL5503572 0.85 NPC1 (0.37) MAPK14RAB9ANPC1ERN1CNR2
SCHEMBL5502865 0.83 HPGD (0.41) ROCK2ROCK1SMN1; SMN2HPGD
SCHEMBL4063688 0.83 SMYD3 (0.41) RAB9ANPC1CNR2SMYD3SMN1; SMN2
SCHEMBL3000225 0.81 USP30 (0.35) L3MBTL1CNR2

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-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed