SCHEMBL8959909

SCHEMBL8959909

CCc1cn(C[C@@](C)(N)OC(=O)/C=C/C(=O)O[C@](C)(N)Cn2cc(CC)c3c(Cl)c(F)ccc32)c2ccc(F)c(Cl)c12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ICMT O60725 4/20 0.32
CNR2 P34972 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
SCHEMBL8959557 0.79 HTR2A (0.48) ICMT
SCHEMBL8959753 0.79 HTR2A (0.48) ICMT
SCHEMBL8959883 0.79 TRPM5 (0.31)
SCHEMBL8959843 0.79 ICMT (0.36) ICMT
SCHEMBL8959696 0.75 AR (0.34)
SCHEMBL27447136 0.75 AR (0.34)
Fumaric Acid SCHEMBL8959914 0.72 HTR2A (0.47) ICMT
Fumaric Acid SCHEMBL8959900 0.72 HTR2A (0.47) ICMT
Fumaric Acid SCHEMBL27340852 0.72 HTR2A (0.47) ICMT
SCHEMBL8959949 0.71 SLC22A12 (0.35) ICMT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1061341-C 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
CN-1105988-A 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed