SCHEMBL5340920

SCHEMBL5340920

O=C1OCC2CC12c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 1/20 0.32
MEN1 O00255 1/20 0.31
PRCP P42785 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL5340915 1.00 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1286642 0.73 MAPK1 (0.40) CHRM2CHRM4LMNAMEN1KMT2A
SCHEMBL21153824 0.73 MAPK1 (0.40) CHRM2CHRM4LMNAMEN1KMT2A
SCHEMBL2116916 0.73 MAPK1 (0.40) CHRM2CHRM4LMNAMEN1KMT2A
SCHEMBL6081100 0.68 CRHBP (0.38) LMNASLC6A4KMT2A
SCHEMBL6081516 0.68 HTR2A (0.36) KMT2A
SCHEMBL13907595 0.67 MEN1 (0.43) LMNAMEN1KMT2A
SCHEMBL2477286 0.67 MAOB (0.38) MEN1KMT2A
SCHEMBL2478791 0.67 SLC6A2 (0.40) SLC6A2SLC6A4
SCHEMBL2482801 0.67 MAOB (0.39) MEN1KMT2A

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-2007098356-A1 CONGENERS OF MILNACIPRAN AS MONOAMINE RE-UPTAKE NEUROCRINE BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed