SCHEMBL8744444

SCHEMBL8744444

CN(C)CC(C)(C)C1CCN(CCCN)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
CYP2D6 P10635 2/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8744397 0.83 GNAO1 (0.50) ALOX15GNAI3GNAO1GNAI1
SCHEMBL8744361 0.81 ALOX15 (0.38) ALOX15GNAI3GNAO1GNAI1POLB
SCHEMBL7475559 0.79 KEAP1 (0.45) ALOX15KEAP1SMN1; SMN2CHRM1GNAI3
SCHEMBL8744370 0.77 NCF1 (0.35) ALOX15
SCHEMBL2209216 0.75 KEAP1 (0.45) ALOX15KEAP1SMN1; SMN2GNAI3GNAO1
SCHEMBL12062280 0.73 KEAP1 (0.38) ALOX15KEAP1SMN1; SMN2CHRM1GNAI3
SCHEMBL8744432 0.72 OPRM1 (0.33)
SCHEMBL23078949 0.70 ALOX15 (0.44) ALOX15SMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL1290862 0.69 CARM1 (0.52) KEAP1SMN1; SMN2POLBSIGMAR1
SCHEMBL8744341 0.69 GNAO1 (0.57) GNAI3GNAO1GNAI1

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