SCHEMBL29486333

SCHEMBL29486333

NC(Cc1ccccc1)Cc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.69
HTR1D P28221 2/20 0.64
HTR1B P28222 2/20 0.64
HTR2C P28335 2/20 0.64
HTR7 P34969 2/20 0.64
HTR6 P50406 2/20 0.64
SLC6A2 P23975 2/20 0.64
ADRB1 P08588 1/20 0.64
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
HTR1E P28566 1/20 0.64
SLC6A4 P31645 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A3 Q01959 1/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 3/20 0.61
KDM4E B2RXH2 2/20 0.61
MPO P05164 2/20 0.61
LMNA P02545 1/20 0.61

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
Tryptophanol SCHEMBL29401346 0.85 HTR2A (0.71) HTR2AHTR1DHTR1BHTR2CHTR7
Tryptophanol SCHEMBL143812 0.85 HTR2A (0.71) HTR2AHTR1DHTR1BHTR2CHTR7
Tryptophanol SCHEMBL81822 0.85 HTR2A (0.71) HTR2AHTR1DHTR1BHTR2CHTR7
Tryptophanol SCHEMBL1177116 0.85 HTR2A (0.71) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL18822721 0.84 HTR2A (0.74) HTR2AHTR1DHTR1BHTR2CHTR7
Tryptophanol SCHEMBL4905367 0.84 HTR2A (0.69) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL1599757 0.83 HTR2A (0.73) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL8229747 0.83 HTR2A (0.73) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL6306944 0.83 HTR2A (0.73) HTR2AHTR1DHTR1BHTR2CHTR7
Tryptophan SCHEMBL9068938 0.82 KMT2A (0.80) HTR2AHTR1DHTR1BHTR2CHTR7

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-2022046605-A1 COMPOSITIONS AND METHODS FOR G-PROTEIN-COUPLED RECEPTOR 44 DETECTION CITY OF HOPE (US) 2022-03-03 WO disclosed