SCHEMBL6853798

SCHEMBL6853798

COc1cc(Br)ccc1S(=O)(=O)c1ccc2c3c(n4c2c1CCC4)CCNCC3

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.43
HTR2C P28335 2/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
HTR2A P28223 1/20 0.35
ALK Q9UM73 1/20 0.33
GHSR Q92847 1/20 0.33
HTR7 P34969 1/20 0.33
HTR4 Q13639 1/20 0.33

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
SCHEMBL6483143 0.76 HTR6 (0.42) HTR6HTR2CMEN1KMT2AGAA
SCHEMBL6487941 0.72 HTR6 (0.44) HTR6HTR2CMEN1KMT2AHTR2A
SCHEMBL6495114 0.71 HTR2C (0.48) HTR6HTR2CMEN1KMT2AHTR2A
SCHEMBL6496653 0.68 HTR2C (0.42) HTR6HTR2CMEN1KMT2AHTR2A
SCHEMBL6482987 0.67 HTR2C (0.41) HTR6HTR2CMEN1KMT2AHTR2A
SCHEMBL6496160 0.65 HTR2C (0.56) HTR6HTR2CMEN1KMT2AHTR2A
SCHEMBL6484359 0.65 HTR2C (0.51) HTR6HTR2CMEN1KMT2AHTR2A
SCHEMBL6495834 0.64 HTR2C (0.43) HTR6HTR2CMEN1KMT2AHTR2A
SCHEMBL6509113 0.64 HTR2C (0.45) HTR6HTR2CMEN1KMT2AHTR2A
SCHEMBL6482718 0.64 SLC6A4 (0.44) HTR6HTR2CMEN1KMT2AHTR2A

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
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed