SCHEMBL22012838

SCHEMBL22012838

NC(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.74
HTR6 P50406 3/20 0.74
HTR1D P28221 2/20 0.74
HTR1B P28222 2/20 0.74
HTR2C P28335 2/20 0.74
HTR7 P34969 2/20 0.74
ADRB1 P08588 1/20 0.74
HTR1A P08908 1/20 0.74
ADRA2A P08913 1/20 0.74
SLC6A2 P23975 1/20 0.74
HTR1E P28566 1/20 0.74
SLC6A4 P31645 1/20 0.74
HTR2B P41595 1/20 0.74
SLC6A3 Q01959 1/20 0.74
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 3/20 0.66
MPO P05164 2/20 0.66
PMP22 Q01453 2/20 0.66

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
SCHEMBL5003380 0.87 HTR2A (0.72) HTR2AHTR6HTR1DHTR1BHTR2C
SCHEMBL4657384 0.87 HTR2A (0.72) HTR2AHTR6HTR1DHTR1BHTR2C
SCHEMBL5000253 0.87 HTR2A (0.72) HTR2AHTR6HTR1DHTR1BHTR2C
SCHEMBL29941662 0.85 HTR2A (0.70) HTR2AHTR6HTR1DHTR1BHTR2C
SCHEMBL274268 0.85 HTR2A (1.00) HTR2AHTR6HTR1DHTR1BHTR2C
SCHEMBL25029870 0.85 HTR2A (0.70) HTR2AHTR6HTR1DHTR1BHTR2C
SCHEMBL599674 0.85 HTR2A (1.00) HTR2AHTR6HTR1DHTR1BHTR2C
SCHEMBL20393056 0.85 HTR2A (0.70) HTR2AHTR6HTR1DHTR1BHTR2C
SCHEMBL27666861 0.85 HTR2A (0.70) HTR2AHTR6HTR1DHTR1BHTR2C
SCHEMBL29886359 0.85 HTR2A (1.00) HTR2AHTR6HTR1DHTR1BHTR2C

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-2020099596-A1 NOVEL PATHWAY FOR THE SYNTHESIS OF DIAZIRINES, THAT MAY OR MAY NOT BE ENRICHED IN NITROGEN-15 UNIVERSITE DE ROUEN NORMANDIE (FR) 2020-05-22 WO disclosed