SCHEMBL8959883

SCHEMBL8959883

COc1cn(C[C@@](C)(N)OC(=O)/C=C/C(=O)O[C@](C)(N)Cn2cc(OC)c3c(C)c(F)ccc32)c2ccc(F)c(C)c12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL8959667 0.83 TRPM5 (0.38) TRPM5
SCHEMBL8959909 0.79 ICMT (0.32)
Fumaric Acid SCHEMBL8959880 0.73 HTR2C (0.36)
Fumaric Acid SCHEMBL8959888 0.73 HTR2C (0.36)
SCHEMBL8959747 0.73 AR (0.44)
SCHEMBL8959557 0.70 HTR2A (0.48)
SCHEMBL8959753 0.70 HTR2A (0.48)
SCHEMBL8959643 0.70 AR (0.33)
SCHEMBL7994539 0.70 ALDH1A1 (0.38)
SCHEMBL8959659 0.69 ICMT (0.32)

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