SCHEMBL5502865

SCHEMBL5502865

O=C(O)CNC(=O)c1ccc(-c2ccc(C(C3CCCCC3)C3CCNC3=O)c(Cl)c2)cc1.O=C(O)CNC(=O)c1cccc(-c2ccc(C(C3CCCCC3)C3CCNC3=O)c(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PREP P48147 1/20 0.38
USP5 P45974 4/20 0.38
HDAC6 Q9UBN7 1/20 0.36
PTPRC P08575 2/20 0.36
CTSL P07711 1/20 0.36
PTPN13 Q12923 1/20 0.36
ADAMTS7 Q9UKP4 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL2994515 0.98 HPGD (0.41) HPGDKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL208153 0.95 USP5 (0.39) USP5HDAC6PTPRCCTSLPTPN13
SCHEMBL209957 0.86 USP5 (0.40) USP5HDAC6PTPRCCTSLPTPN13
SCHEMBL2999256 0.85 PDE4D (0.41) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL210127 0.85 CXCR4 (0.38) KMT2APDE1APDE1BPDE4DPDE7A
SCHEMBL5503535 0.83 MAPK14 (0.43) HPGDSMN1; SMN2ROCK2ROCK1
SCHEMBL5503539 0.83 NPC1 (0.38) SMN1; SMN2MEN1KMT2ABCL2L1MCL1
Hydrochloric Acid SCHEMBL5503572 0.83 NPC1 (0.37) SMN1; SMN2MEN1KMT2ABCL2L1MCL1
Hydrochloric Acid SCHEMBL5503567 0.83 MAPK14 (0.43) HPGDSMN1; SMN2ROCK2ROCK1
SCHEMBL2988655 0.82 PDE4D (0.38) ALDH1A1PDE1APDE1BPDE4DPDE7A

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