SCHEMBL9699480

SCHEMBL9699480

COC(=O)Nn1cc(CCN)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
HTR6 P50406 16/20 0.51
SCN9A Q15858 1/20 0.44
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7675381 0.86 HTR6 (0.55) HTR2AHTR6SCN9A
SCHEMBL6828081 0.84 HTR6 (0.41) HTR6HDAC10HDAC6
SCHEMBL6450630 0.83 MTNR1A (0.50)
SCHEMBL12368655 0.79 MAPT (0.62) SCN9A
Methyl Carbamate SCHEMBL6828082 0.77 HTR2A (0.52) HTR2AHTR6SCN9AHDAC10HDAC6
SCHEMBL7528710 0.74 HTR2A (0.59) HTR2AHTR6SCN9A
SCHEMBL29424269 0.74 HTR2A (0.59) HTR2AHTR6SCN9A
SCHEMBL25345505 0.73 HTR2A (0.55) HTR2AHTR6SCN9A
SCHEMBL2243379 0.73 HTR2A (0.63) HTR2AHTR6SCN9A
SCHEMBL27721427 0.73 HTR2A (0.58) HTR2AHTR6SCN9A

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
WO-1992006980-A1 COMPOUNDS HAVING N-METHYLTRYPTAMINE TRICYCLIC STRUCTURE FOR THE THERAPY OF DEGENERATIVE ENCEPHALOPATHIES DEPHA TEAM S.R.L. (IT) 1992-04-30 WO disclosed