SCHEMBL5503539

SCHEMBL5503539

O=C(NN1CCCCC1)c1cccc(-c2ccc(C(C3CCCCC3)C3CCNC3=O)c(Cl)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.38
CNR2 P34972 7/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
ERN1 O75460 1/20 0.35
PARP1 P09874 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 2/20 0.35
MAPK14 Q16539 1/20 0.34

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 SCHEMBL5503572 0.99 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HTTCNR2
SCHEMBL4062034 0.92 HTT (0.37) NPC1RAB9ASMN1; SMN2HTTCNR2
SCHEMBL2999256 0.86 PDE4D (0.41) NPC1RAB9AERN1
SCHEMBL5503535 0.86 MAPK14 (0.43) NPC1RAB9ASMN1; SMN2HTTCNR2
SCHEMBL2994515 0.85 HPGD (0.41) SMN1; SMN2BCL2L1MCL1MEN1KMT2A
Hydrochloric Acid SCHEMBL5503567 0.85 MAPK14 (0.43) NPC1RAB9ASMN1; SMN2HTTCNR2
SCHEMBL5502865 0.83 HPGD (0.41) SMN1; SMN2BCL2L1MCL1MEN1KMT2A
SCHEMBL4063694 0.83 HTT (0.39) NPC1RAB9ASMN1; SMN2HTTCNR2
SCHEMBL4064162 0.81 HTT (0.36) NPC1RAB9ASMN1; SMN2HTTCNR2
SCHEMBL3000225 0.81 USP30 (0.35) CNR2BCL2L1MCL1

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