SCHEMBL11084994

SCHEMBL11084994

O=C(C(c1ccccc1)C1CCCC1)N1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.70
HTR1E P28566 2/20 0.51
S1PR3 Q99500 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL11083565 0.99 CHRM3 (0.71) CHRM3HTR1ES1PR3MEN1LMNA
SCHEMBL27933777 0.84 CHRM3 (0.72) CHRM3HTR1ES1PR3MEN1LMNA
SCHEMBL20202492 0.82 CHRM3 (1.00) CHRM3HTR1ES1PR3MEN1LMNA
SCHEMBL15127557 0.82 CHRM3 (0.74) CHRM3HTR1ES1PR3MEN1LMNA
SCHEMBL26162986 0.82 SLC6A3 (0.59) CHRM3LMNASLC6A2SLC6A4SLC6A3
SCHEMBL20202491 0.81 CHRM3 (1.00) CHRM3HTR1ES1PR3MEN1LMNA
SCHEMBL20412694 0.81 CHRM3 (0.53) CHRM3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4875919 0.80 CHRM3 (0.67) CHRM3SIGMAR1
SCHEMBL19157195 0.79 CHRM3 (0.48) CHRM3HTR1ES1PR3MEN1KMT2A
SCHEMBL4390848 0.79 CHRM3 (0.48) CHRM3HTR1ES1PR3MEN1LMNA

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-4426382-A HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1984-01-17 US disclosed