SCHEMBL1774379

SCHEMBL1774379

O=C(CBr)c1ccc(Br)cc1.O=C(CS(=O)(=O)c1cc2c(N3CCNCC3)nccc2s1)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.39
HTT P42858 1/20 0.36
HTR6 P50406 4/20 0.36
GSK3B P49841 1/20 0.35
NCF1 P14598 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32

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
SCHEMBL1776423 0.87 HTR6 (0.45) HTR2CHTR6USP2TSHRHSD17B10
SCHEMBL1775389 0.86 HTR2C (0.40) HTR2CHTR6USP2TSHRHSD17B10
Hydrochloric Acid SCHEMBL1776105 0.85 HTR2C (0.40) HTR2CHTR6USP2TSHRHSD17B10
SCHEMBL1775970 0.83 HSD11B1 (0.41) HTR2CHTR6USP2TSHRHSD17B10
Hydrochloric Acid SCHEMBL1774530 0.83 HSD11B1 (0.41) HTR2CHTR6USP2TSHRHSD17B10
SCHEMBL1777105 0.81 HTR2C (0.45) HTR2CHTTHTR6NCF1
Hydrochloric Acid SCHEMBL1774728 0.81 HTR2C (0.44) HTR2CHTTHTR6NCF1
SCHEMBL1775766 0.80 HTR2C (0.40) HTR2CHTTHTR6NCF1USP2
SCHEMBL6385040 0.80 HTR6 (0.47) HTR2CHTTHTR6NCF1
SCHEMBL1775382 0.79 HTR6 (0.45) HTR2CHTR6USP2TSHRHSD17B10

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-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed