SCHEMBL1775389

SCHEMBL1775389

O=C(CS(=O)(=O)c1cc2c(N3CCNCC3)nccc2s1)c1ccc(N2CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR6 P50406 5/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CLK4 Q9HAZ1 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
BMPR1B O00238 1/20 0.33
ACVR1B P36896 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 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
Hydrochloric Acid SCHEMBL1776105 0.99 HTR2C (0.40) HTR2CHTR6ALDH1A1USP2TSHR
SCHEMBL1776423 0.89 HTR6 (0.45) HTR2CHTR6ALDH1A1USP2TSHR
SCHEMBL1774379 0.86 HTR2C (0.39) HTR2CHTR6USP2TSHRHSD17B10
SCHEMBL1775970 0.85 HSD11B1 (0.41) HTR2CHTR6USP2TSHRHSD17B10
Hydrochloric Acid SCHEMBL1774530 0.84 HSD11B1 (0.41) HTR2CHTR6USP2TSHRHSD17B10
SCHEMBL6382957 0.83 HTR6 (0.47) HTR2CHTR6ALDH1A1
Hydrochloric Acid SCHEMBL5012454 0.81 HTR2C (0.39) HTR2CHTR6ALDH1A1USP2TSHR
SCHEMBL1775382 0.81 HTR6 (0.45) HTR2CHTR6ALDH1A1USP2TSHR
SCHEMBL5015941 0.77 HTR2C (0.53) HTR2CHTR6HTR1A
SCHEMBL1776417 0.75 HTR6 (0.48) HTR2CHTR6

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 claimed