SCHEMBL28012774

SCHEMBL28012774

C#CCNCS(=O)(=O)OC1C=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
SIGMAR1 Q99720 6/20 0.32
BCHE P06276 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ACHE P22303 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR6 P50406 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
SCHEMBL27788992 0.75 HTR2A (0.41) HTR6
SCHEMBL27714402 0.72 HTR2A (0.34) SIGMAR1HTR6
SCHEMBL8959338 0.71 HTR6 (0.31) HTR6
SCHEMBL30995707 0.68 MAOB (0.51) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL1051972 0.68 MAOB (0.51) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL27788839 0.67 HTR2A (0.34) SIGMAR1HTR6
SCHEMBL27980204 0.67 CYP2D6 (0.43) HTR6
SCHEMBL28339720 0.66 DRD2 (0.31) HTR6
SCHEMBL27842888 0.65 MAOB (0.44) MAOAMAOBSIGMAR1BCHEADRA2B
SCHEMBL27759010 0.65 MAOB (0.44) MAOAMAOBSIGMAR1BCHEADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622225-B Methods for isolating propargylated aminoindans TEVA PHARMA 2015-04-15 CN claimed
CN-101622225-B Methods for isolating propargylated aminoindans TEVA PHARMA 2015-04-15 CN disclosed