SCHEMBL19720276

SCHEMBL19720276

N[C@@H](Cc1c[nH]c2ccccc12)C(O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.66
HTR1D P28221 2/20 0.66
HTR1B P28222 2/20 0.66
HTR2C P28335 2/20 0.66
HTR7 P34969 2/20 0.66
HTR6 P50406 2/20 0.66
ADRB1 P08588 1/20 0.66
HTR1A P08908 1/20 0.66
ADRA2A P08913 1/20 0.66
SLC6A2 P23975 1/20 0.66
HTR1E P28566 1/20 0.66
SLC6A4 P31645 1/20 0.66
HTR2B P41595 1/20 0.66
SLC6A3 Q01959 1/20 0.66
MAPT P10636 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MPO P05164 2/20 0.63
PMP22 Q01453 2/20 0.63

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
SCHEMBL9976690 1.00 HTR2A (0.66) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL4735105 0.87 HTR2A (0.71) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL4735107 0.87 HTR2A (0.71) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL27666861 0.86 HTR2A (0.70) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL29941662 0.86 HTR2A (0.70) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL17407615 0.83 HTR2A (0.76) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL20028643 0.83 KDM4E (0.63) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL4963416 0.83 HTR2A (0.60) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL22012838 0.82 HTR2A (0.74) HTR2AHTR1DHTR1BHTR2CHTR7
SCHEMBL9279873 0.82 SMN1; SMN2 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10697985-B2 Method for detecting small molecules in a sample IMMUSMOL SAS (FR) 2020-06-30 US disclosed
EP-3011347-B1 METHOD FOR DETECTING SMALL MOLECULES IN A SAMPLE IMMUSMOL SAS (FR) 2017-12-20 EP disclosed