SCHEMBL8744315

SCHEMBL8744315

CCCCCCCCCCCCN1CCC(C(C)(C)C(=O)N(C)Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
UBE2M P61081 8/20 0.49
DCUN1D1 Q96GG9 8/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
RIPK1 Q13546 1/20 0.47
OPRM1 P35372 4/20 0.47
CYP2J2 P51589 1/20 0.44

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
SCHEMBL8744403 0.80 GNAO1 (0.50) KCNH2
SCHEMBL8744425 0.79 KCNH2 (0.53) KCNH2UBE2MDCUN1D1RIPK1CYP2J2
SCHEMBL8744476 0.79 KCNH2 (0.55) KCNH2UBE2MDCUN1D1KMT2AKDM4E
SCHEMBL8744343 0.76 BCHE (0.50) KCNH2
SCHEMBL8872700 0.76 GNAO1 (0.54) KCNH2
SCHEMBL5199917 0.73 ACHE (0.56) KCNH2KMT2AMEN1OPRM1
SCHEMBL8744456 0.72 GNAO1 (0.57) KCNH2
Hydrochloric Acid SCHEMBL6491944 0.72 ACHE (0.55) KCNH2KMT2AMEN1OPRM1
SCHEMBL8744379 0.70 GNAO1 (0.50) KCNH2
SCHEMBL8744375 0.69 BCHE (0.44) KCNH2OPRM1

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