SCHEMBL10638947

SCHEMBL10638947

CC(C)N(CCC(C#N)c1ccccn1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.44
CHRM1 P11229 6/20 0.44
HRH1 P35367 6/20 0.44
CHRM5 P08912 3/20 0.44
CHRM3 P20309 3/20 0.44
CHRM4 P08173 2/20 0.44
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN3A Q9NY46 3/20 0.42
KCNH2 Q12809 7/20 0.42
KCNA5 P22460 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 3/20 0.41
CYP2D6 P10635 4/20 0.40

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
SCHEMBL11226593 0.76 SMN1; SMN2 (0.47) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL6938022 0.76 HRH1 (0.44) CHRM2CHRM1HRH1CHRM5CHRM3
SCHEMBL10632634 0.76 SMN1; SMN2 (0.53) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL11223803 0.76 SMN1; SMN2 (0.47) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL27925029 0.75 SMN1; SMN2 (0.46) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL16999005 0.75 TSHR (0.62) CHRM2CHRM1HRH1CHRM5CHRM3
SCHEMBL27779093 0.75 CCR1 (0.48) CHRM2CHRM1HRH1SLC6A2SLC6A4
SCHEMBL9149178 0.74 SMN1; SMN2 (0.43) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL10984015 0.73 GAA (0.45) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL27792007 0.73 SMN1; SMN2 (0.49) CHRM2SLC6A2SLC6A4SCN1ASCN2A

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-4721710-A Derivatives of piperidinedione for protecting the myocardium presenting an anti-arrythmic activity, and pharmaceutical compositions SANOFI 1988-01-26 US disclosed
US-4542134-A Derivatives of γ-butyrolactone with an anti-arrythmic activity and compositions SANOFI (FR) 1985-09-17 US disclosed
US-4153797-A α-Aryl-α, α-bis[ω- (disubstituted amino)alkyl]acetamides and related compounds G. D. SEARLE & CO. (US) 1979-05-08 US disclosed
US-4107205-A α-Aryl-α,α-bis[ω-(disubstituted amino)alkyl]acetamides and related compounds G. D. SEARLE & CO. (US) 1978-08-15 US disclosed