SCHEMBL3532673

SCHEMBL3532673

NCCCOc1ccc2c(c1)c(S(=O)(=O)c1cccc3ccccc13)nn2Cc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.53
HTR2B P41595 5/20 0.53
DRD2 P14416 3/20 0.53
HTR2C P28335 3/20 0.53
TP53 P04637 1/20 0.39
NR1I2 O75469 1/20 0.37
PLA2G2A P14555 1/20 0.37
PTGER4 P35408 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 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
SCHEMBL3532495 0.97 HTR6 (0.52) HTR6HTR2BDRD2HTR2CTP53
SCHEMBL3538468 0.94 HTR6 (0.59) HTR6HTR2BDRD2HTR2CNR1I2
SCHEMBL3530834 0.91 HTR6 (0.58) HTR6HTR2BDRD2HTR2CNR1I2
SCHEMBL3534496 0.89 HTR6 (0.52) HTR6HTR2BDRD2HTR2CTP53
SCHEMBL3531338 0.88 HTR6 (0.53) HTR6HTR2BDRD2HTR2CTP53
SCHEMBL3532651 0.88 HTR6 (0.53) HTR6HTR2BDRD2HTR2CTP53
SCHEMBL3534239 0.87 HTR6 (0.52) HTR6HTR2BDRD2HTR2CTP53
SCHEMBL3531961 0.87 HTR6 (0.56) HTR6HTR2BDRD2HTR2CHTR1A
SCHEMBL3532494 0.87 HTR6 (0.52) HTR6HTR2BDRD2HTR2CTP53
SCHEMBL3527946 0.86 HTR6 (0.53) HTR6HTR2BDRD2HTR2CTP53

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
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US claimed