SCHEMBL30516397

SCHEMBL30516397

Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCCC3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 1.00
HTR2A P28223 1/20 1.00
HTR1D P28221 1/20 0.81
HTR2C P28335 1/20 0.81
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
PIK3CA P42336 4/20 0.41
AKT1 P31749 1/20 0.41
MTOR P42345 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
CHRNA7 P36544 1/20 0.37
CRHBP P24387 1/20 0.37

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
SCHEMBL782195 1.00 HTR6 (1.00) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7142266 0.90 HTR6 (0.81) HTR6HTR2AHTR1DHTR2CCYP2C9
SCHEMBL7136091 0.90 HTR6 (1.00) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7136700 0.83 HTR6 (0.71) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7142007 0.83 HTR6 (0.71) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7138609 0.82 HTR6 (1.00) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7142618 0.80 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7137383 0.80 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7137232 0.80 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7141379 0.80 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CLMNA

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
CN-112041300-B Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists 阿达梅德制药公司 2023-07-28 CN disclosed