SCHEMBL13115481

SCHEMBL13115481

CNC(COC)Cc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.54
HTR1A P08908 2/20 0.54
ADRB1 P08588 1/20 0.54
ADRA2A P08913 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2C P28335 1/20 0.54
HTR1E P28566 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR7 P34969 1/20 0.54
HTR2B P41595 1/20 0.54
HTR6 P50406 1/20 0.54
SLC6A3 Q01959 1/20 0.54
MAPT P10636 3/20 0.51
GPR84 Q9NQS5 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP3A4 P08684 1/20 0.51
AHR P35869 1/20 0.51

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
SCHEMBL20442205 0.89 SNCA (0.52) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL16174125 0.84 HTR2A (0.63) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL13594308 0.82 HTR2A (0.56) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL16203421 0.82 HTR2A (0.56) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL23679540 0.81 HTR2A (0.56) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL23679752 0.81 HTR2A (0.59) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL23679536 0.80 HTR2A (0.57) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL21292958 0.79 HTR2A (0.70) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL21292957 0.79 HTR2A (0.70) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL23679805 0.79 HTR2A (0.54) HTR2AHTR1AADRB1ADRA2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573981-B1 ALKOXY BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2022-03-16 EP disclosed
US-20100273178-A1 Affinity selected signature peptides for protein identification and quantification PURDUE RESEARCH FOUNDATION (US) 2010-10-28 US disclosed
US-20080145863-A1 Affinity selected signature peptides for protein identification and quantification PURDUE RESEARCH FOUNDATION (US) 2008-06-19 US disclosed