SCHEMBL4654772

SCHEMBL4654772

CC(C)(CN)CCN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 1/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35

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
SCHEMBL13948657 0.80 HRH3 (0.42) HRH3CYP2D6LMNACHRM2HTR1A
SCHEMBL18610400 0.80 HRH3 (0.42) HRH3CYP2D6LMNACHRM2HTR1A
SCHEMBL19200152 0.78 ALDH1A1 (0.42) HRH3CYP2D6LMNACHRM2HTR1A
SCHEMBL3983973 0.77 CYP2D6 (0.41) HRH3CYP2D6LMNAL3MBTL1SIGMAR1
SCHEMBL11972631 0.77 CYP2D6 (0.41) HRH3CYP2D6LMNAL3MBTL1SIGMAR1
SCHEMBL18403180 0.77 CARM1 (0.39) HRH3CYP2D6LMNACHRM2HTR1A
SCHEMBL2189098 0.77 HRH3 (0.44) HRH3MAPTCYP2D6LMNACHRM2
SCHEMBL2188091 0.77 HRH3 (0.44) HRH3MAPTCYP2D6LMNACHRM2
SCHEMBL24277911 0.77 HRH3 (0.48) HRH3MAPTCYP2D6LMNACHRM2
SCHEMBL10032106 0.77 HRH3 (0.48) HRH3MAPTCYP2D6LMNACHRM2

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-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 WO disclosed