SCHEMBL8959995

SCHEMBL8959995

COc1cn(CCN)c2cccc(C)c12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 13/20 0.44
KDR P35968 2/20 0.40
GSK3B P49841 2/20 0.40
FLT3 P36888 1/20 0.40
HASPIN Q8TF76 1/20 0.38
DYRK2 Q92630 1/20 0.38
HTR2C P28335 1/20 0.35
HTR6 P50406 2/20 0.34

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
Fumaric Acid SCHEMBL8959767 0.89 TRPM5 (0.47) TRPM5KDRGSK3BFLT3
Fumaric Acid SCHEMBL8959756 0.89 TRPM5 (0.47) TRPM5KDRGSK3BFLT3
SCHEMBL9231573 0.79 HTR2C (0.55) HTR2C
SCHEMBL9229358 0.77 HTR2C (0.39) TRPM5HTR2C
SCHEMBL9229362 0.77 HTR2C (0.39) TRPM5HTR2C
SCHEMBL8959806 0.74 HTR2A (0.40) TRPM5KDRGSK3BFLT3HTR2C
SCHEMBL8959761 0.71 TRPM5 (0.39) TRPM5HTR2C
Fumaric Acid SCHEMBL8959671 0.71 HTR2C (0.45) TRPM5HTR2C
Fumaric Acid SCHEMBL8959661 0.71 HTR2C (0.45) TRPM5HTR2C
SCHEMBL8959667 0.70 TRPM5 (0.38) TRPM5

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
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP claimed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP disclosed