SCHEMBL9541874

SCHEMBL9541874

CCCCN1CCCC(C(CC)C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.48
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
CHRM3 P20309 1/20 0.39

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
SCHEMBL8563999 0.79 BCHE (0.47) BCHECHRM3
Hydrochloric Acid SCHEMBL8564868 0.78 BCHE (0.46) BCHECHRM3
SCHEMBL9345020 0.77 BCHE (0.48) BCHE
SCHEMBL8564002 0.77 BCHE (0.48) BCHECHRM3
SCHEMBL23710775 0.77 BCHE (0.45) BCHE
Hydrochloric Acid SCHEMBL8564869 0.76 BCHE (0.47) BCHECHRM3
SCHEMBL28800001 0.75 BCHE (0.44) BCHE
SCHEMBL12503829 0.75 BCHE (0.44) BCHECHRM3
SCHEMBL14554032 0.74 BCHE (0.66) BCHE
SCHEMBL14217826 0.74 BCHE (0.66) BCHE

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-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed