SCHEMBL9433756

SCHEMBL9433756

O=C1NCCO1.O=C1N[C@H](Cc2ccccc2)CO1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.39
HTR1B P28222 6/20 0.39
SCN9A Q15858 1/20 0.39
CTSD P07339 1/20 0.39
HTR1A P08908 3/20 0.38
HTR2A P28223 2/20 0.38
KMT2A Q03164 1/20 0.38
ADRA1A P35348 1/20 0.38
POLB P06746 1/20 0.38
GHSR Q92847 1/20 0.38
HTR1F P30939 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL7643502 0.88 HTR1D (0.45) HTR1DHTR1BSCN9AHTR1AHTR2A
SCHEMBL7643497 0.88 HTR1D (0.45) HTR1DHTR1BSCN9AHTR1AHTR2A
SCHEMBL4329 0.88 HTR1D (0.45) HTR1DHTR1BSCN9AHTR1AHTR2A
SCHEMBL4328 0.88 HTR1D (0.45) HTR1DHTR1BSCN9AHTR1AHTR2A
SCHEMBL137215 0.88 HTR1D (0.45) HTR1DHTR1BSCN9AHTR1AHTR2A
SCHEMBL16106155 0.88 HTR1D (0.45) HTR1DHTR1BSCN9AHTR1AHTR2A
SCHEMBL7291301 0.87 HTR1D (0.44) HTR1DHTR1BSCN9AHTR1AHTR2A
SCHEMBL27360323 0.87 HTR1D (0.44) HTR1DHTR1BSCN9AHTR1AHTR2A
SCHEMBL7291306 0.87 HTR1D (0.44) HTR1DHTR1BSCN9AHTR1AHTR2A
SCHEMBL26773129 0.80 HTR1D (0.44) HTR1DHTR1BSCN9AHTR1AHTR2A

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-5281585-A Secondary amide containing antagonist MERCK & CO., INC. (US) 1994-01-25 US disclosed