SCHEMBL8959667

SCHEMBL8959667

COc1cn(C[C@@](C)(N)OC(=O)/C=C/C(=O)O[C@](C)(N)Cn2cc(OC)c3c(C)cccc32)c2cccc(C)c12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 13/20 0.38
ABCG2 Q9UNQ0 1/20 0.33
HTR7 P34969 1/20 0.32
PLA2G2A P14555 3/20 0.32

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
SCHEMBL8959883 0.83 TRPM5 (0.31) TRPM5
SCHEMBL8959711 0.77 HTR2C (0.45) TRPM5
SCHEMBL8959761 0.76 TRPM5 (0.39) TRPM5PLA2G2A
Fumaric Acid SCHEMBL8959767 0.74 TRPM5 (0.47) TRPM5HTR7
Fumaric Acid SCHEMBL8959756 0.74 TRPM5 (0.47) TRPM5HTR7
SCHEMBL7994539 0.73 ALDH1A1 (0.38) PLA2G2A
Fumaric Acid SCHEMBL8959661 0.72 HTR2C (0.45) TRPM5HTR7
Fumaric Acid SCHEMBL8959671 0.72 HTR2C (0.45) TRPM5HTR7
SCHEMBL8959995 0.70 TRPM5 (0.44) TRPM5
SCHEMBL8959747 0.70 AR (0.44)

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-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed