SCHEMBL8744458

SCHEMBL8744458

C=C(C(C)C)N1CCC(C(C)(C)CN(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.34
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 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
SCHEMBL19398105 0.79 CYP2D6 (0.50) CYP2D6KCNH2HRH3
SCHEMBL8744370 0.73 NCF1 (0.35) BDKRB1
SCHEMBL13328192 0.72 L3MBTL3 (0.44)
SCHEMBL16849117 0.69 DPP4 (0.35) KCNH2
SCHEMBL16849112 0.69 ALDH1A1 (0.48)
SCHEMBL8744432 0.69 OPRM1 (0.33) BDKRB1HRH3
SCHEMBL26353640 0.68 SIGMAR1 (0.34)
SCHEMBL16849118 0.68 EPHX2 (0.39)
SCHEMBL21573595 0.67 MEN1 (0.31)
SCHEMBL13328190 0.67 GNAI3 (0.36)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614534-A Derivatives of β, β-dimethyl-4-piperidineethanamine as inhibitors of the cholesterol biosynthesis FOURNIER INDUSTRIE ET SANTE (FR) 1997-03-25 US disclosed
EP-0699187-B1 BETA,BETA-DIMETHYL-4-PIPERIDINEETHANAMINE DERIVATIVES AS INHIBITORS OF THE CHOLESTEROL BIOSYNTHESIS FOURNIER IND & SANTE (FR) 1997-01-22 EP disclosed
EP-0699187-A1 DERIVATIVES OF -g(b), -g(b)-DIMETHYL-4-PIPERIDINEETHANAMINE AS INHIBITORS OF THE CHOLESTEROL BIOSYNTHESIS FOURNIER IND & SANTE (FR) 1996-03-06 EP disclosed
WO-1994026713-A1 DERIVATIVES OF β, β-DIMETHYL-4-PIPERIDINEETHANAMINE AS INHIBITORS OF THE CHOLESTEROL BIOSYNTHESIS FOURNIER INDUSTRIE ET SANTE (FR) 1994-11-24 WO disclosed