SCHEMBL8744476

SCHEMBL8744476

CCCCCCCCCCCCN1CCC(C(C)(C)CN(C)Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
KMT2A Q03164 3/20 0.46
SIGMAR1 Q99720 2/20 0.45
UBE2M P61081 3/20 0.45
DCUN1D1 Q96GG9 3/20 0.45
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL8744315 0.79 KCNH2 (0.52) KCNH2KMT2AUBE2MDCUN1D1ALDH1A1
SCHEMBL8744397 0.78 GNAO1 (0.50) KCNH2
SCHEMBL8744375 0.72 BCHE (0.44) KCNH2
SCHEMBL867837 0.72 KCNH2 (1.00) KCNH2SIGMAR1HRH3
SCHEMBL12040797 0.72 KCNH2 (1.00) KCNH2SIGMAR1HRH3
SCHEMBL20492895 0.71 CARM1 (0.67) KCNH2KMT2ASIGMAR1MEN1
SCHEMBL8744425 0.70 KCNH2 (0.53) KCNH2UBE2MDCUN1D1
SCHEMBL349032 0.70 KCNH2 (0.97) KCNH2SIGMAR1HRH3
SCHEMBL7386201 0.70 KCNH2 (0.52) KCNH2SIGMAR1
SCHEMBL8744341 0.70 GNAO1 (0.57) KCNH2

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