SCHEMBL4067724

SCHEMBL4067724

COC1CCC(N2CCCC2=O)CC1Cc1c(Cl)cc(OCc2ccccc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
CYP2D6 P10635 2/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
S1PR1 P21453 1/20 0.36
PRKX P51817 1/20 0.36
ACVR1 Q04771 1/20 0.36
S1PR5 Q9H228 1/20 0.36
LMNA P02545 1/20 0.35
LTA4H P09960 2/20 0.35
KCNH2 Q12809 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
MCHR1 Q99705 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
SCHEMBL5507807 0.88 HRH3 (0.39) HRH3CYP2D6MAOAMAOBS1PR1
SCHEMBL5502793 0.79 GRM2 (0.39) LTA4HKCNH2
SCHEMBL5500218 0.75 MMP13 (0.38) CYP2D6
SCHEMBL5505968 0.75 P2RX7 (0.41)
SCHEMBL5500075 0.74 PDCD1LG2 (0.35)
SCHEMBL209168 0.72 HSD11B1 (0.47) HRH3CYP2D6S1PR1PRKXACVR1
SCHEMBL209167 0.72 HSD11B1 (0.47) HRH3CYP2D6S1PR1PRKXACVR1
SCHEMBL209166 0.72 HSD11B1 (0.47) HRH3CYP2D6S1PR1PRKXACVR1
SCHEMBL4180585 0.72 S1PR5 (0.40) HRH3CYP2D6S1PR1PRKXACVR1
SCHEMBL4024126 0.72 LTA4H (0.34) HRH3CYP2D6MAOAMAOBS1PR1

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