SCHEMBL8959659

SCHEMBL8959659

COc1cn(CC(C)O)c2ccc(F)c(C)c12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.32
DAO P14920 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRIN2B Q13224 1/20 0.32
P2RX7 Q99572 2/20 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
SCHEMBL8959654 1.00 ICMT (0.32) ICMTDAOKDM4EGRIN2BP2RX7
Fumaric Acid SCHEMBL8959880 0.80 HTR2C (0.36) ICMTKDM4E
Fumaric Acid SCHEMBL8959888 0.80 HTR2C (0.36) ICMTKDM4E
SCHEMBL9229358 0.78 HTR2C (0.39) DAOKDM4E
SCHEMBL9229362 0.78 HTR2C (0.39) DAOKDM4E
SCHEMBL8959664 0.70 ICMT (0.40) ICMTKDM4E
SCHEMBL8959672 0.70 ICMT (0.40) ICMTKDM4E
SCHEMBL8959883 0.69 TRPM5 (0.31)
SCHEMBL8959567 0.65 HTR2A (0.36) ICMT
SCHEMBL9231573 0.64 HTR2C (0.55)

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