SCHEMBL2828716

SCHEMBL2828716

Brc1cccc(OC2CC2)c1I

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.36
HTR7 P34969 1/20 0.36
MCHR1 Q99705 4/20 0.36
AR P10275 5/20 0.35
HRH1 P35367 2/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
SLC6A4 P31645 1/20 0.33
POLB P06746 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL2404772 0.79 HRH1 (0.43) HTR1AHTR7HRH1SLC6A2SLC6A3
SCHEMBL31652114 0.79 HRH1 (0.43) HTR1AHTR7HRH1SLC6A2SLC6A3
SCHEMBL28425007 0.78 MCHR1 (0.47) HTR1AMCHR1HRH1SLC6A2SLC6A3
SCHEMBL29426955 0.77 MCHR1 (0.39) HTR1AMCHR1ARHRH1SLC6A2
SCHEMBL29165963 0.77 HPGD (0.38) HTR1AMCHR1ARHRH1SLC6A2
SCHEMBL20855449 0.77 MCHR1 (0.39) HTR1AMCHR1ARHRH1SLC6A2
SCHEMBL25385511 0.77 SLC6A2 (0.47) HTR1AMCHR1ARHRH1SLC6A2
SCHEMBL2824173 0.73 KMT2A (0.33) HTR1ASLC6A2SLC6A3
SCHEMBL25403030 0.73 TLR8 (0.40) MCHR1ARHRH1SLC6A2SLC6A3
SCHEMBL1926850 0.72 KMT2A (0.44) HTR1AMCHR1HRH1SLC6A2SLC6A3

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
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed