SCHEMBL9915652

SCHEMBL9915652

[C-]#[N+]CCN(CC)c1ccc(/C=C/c2cc(OC)c(/C=C/c3ccc(N(CCCC)CCCC)cc3)cc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
FGFR1 P11362 1/20 0.36
PTGS2 P35354 3/20 0.36
CYP1A1 P04798 3/20 0.35
CYP1B1 Q16678 3/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
INSR P06213 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
APP P05067 3/20 0.34
MEN1 O00255 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33

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
SCHEMBL13138320 0.89 SLC16A3 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915654 0.87 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18159323 0.85 SLC16A3 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14302933 0.83 CYP19A1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915877 0.83 CYP1A1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915633 0.83 CYP1A1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915866 0.81 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915640 0.81 SLC16A3 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18159325 0.79 SLC16A3 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13244122 0.79 NQO2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed