SCHEMBL8006752

SCHEMBL8006752

C=CCCCO[C@@H]1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
KCNH2 Q12809 4/20 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
SCHEMBL2896961 1.00 CHRM1 (0.39) CHRM1CHRM2CHRM3SLC6A2SLC6A4
SCHEMBL31618664 0.88 CHRM2 (0.34) CHRM1CHRM2CHRM3
SCHEMBL3943932 0.80
SCHEMBL24764448 0.77
SCHEMBL10290697 0.77
SCHEMBL9723824 0.77 SLC2A1 (0.38)
SCHEMBL2632683 0.76 CHRM1 (0.51) CHRM1CHRM2CHRM3SLC6A2SLC6A4
SCHEMBL24764219 0.76 CHRM1 (0.38) CHRM1CHRM2CHRM3SLC6A2SLC6A4
SCHEMBL10049922 0.76 CHRM1 (0.51) CHRM1CHRM2CHRM3SLC6A2SLC6A4
SCHEMBL24764467 0.76 CHRM1 (0.38) CHRM1CHRM2CHRM3SLC6A2SLC6A4

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
WO-2009108507-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2009-09-03 WO disclosed