SCHEMBL8942538

SCHEMBL8942538

CC(C)CCCNCCCCN1CCC(CC(C)CN(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
BCHE P06276 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ACHE P22303 1/20 0.34
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
OPRL1 P41146 1/20 0.31
HTR4 Q13639 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8744396 0.82 TP53 (0.44) FPR3FPR2OPRL1HTR4HSD17B10
SCHEMBL25108944 0.72 SIGMAR1 (0.42) GNAI3GNAO1GNAI1CHRM4OPRL1
SCHEMBL25024081 0.69 GNAO1 (0.45) GNAI3GNAO1GNAI1BCHECHRM2
SCHEMBL21658978 0.68 KCNH2 (0.32) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL21106038 0.68 SIGMAR1 (0.36) GNAI3GNAO1GNAI1OPRL1
SCHEMBL26492376 0.68 GNAO1 (0.45) GNAI3GNAO1GNAI1CHRM2CHRM4
SCHEMBL26407146 0.68 GNAO1 (0.41) GNAI3GNAO1GNAI1
SCHEMBL23261538 0.68 PIK3CD (0.36)
SCHEMBL25728028 0.67 GNAO1 (0.37) GNAI3GNAO1GNAI1BCHE
SCHEMBL8972506 0.67 GNAI3 (0.37) GNAI3GNAO1GNAI1BCHECHRM2

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-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