SCHEMBL4064162

SCHEMBL4064162

O=C(NN1CCC1)c1ccc(-c2cc(Cl)c(C(C3CCCCC3)C3CCNC3=O)c(Cl)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MC5R P33032 1/20 0.35
PKM P14618 1/20 0.35
AKT1 P31749 1/20 0.34
F10 P00742 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL4063694 0.98 HTT (0.39) HTTCNR1CNR2SMN1; SMN2RAB9A
SCHEMBL4062034 0.89 HTT (0.37) HTTCNR1CNR2SMN1; SMN2RAB9A
SCHEMBL209307 0.85 PDE4D (0.41) AKT1ALDH1A1
SCHEMBL4063688 0.85 SMYD3 (0.41) CNR2SMN1; SMN2RAB9ANPC1PSEN1
SCHEMBL4064157 0.85 CNR2 (0.39) CNR2SMN1; SMN2RAB9ANPC1MC5R
SCHEMBL209957 0.84 USP5 (0.40) MC5R
SCHEMBL208481 0.83 SLC6A3 (0.41) SMN1; SMN2NPC1ALDH1A1
SCHEMBL208725 0.82 PDE5A (0.39) SMN1; SMN2ALDH1A1
SCHEMBL210062 0.82 CA2 (0.40) AKT1ALDH1A1
SCHEMBL5503539 0.81 NPC1 (0.38) HTTCNR1CNR2SMN1; SMN2RAB9A

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-2016047-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP disclosed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed