SCHEMBL1775386

SCHEMBL1775386

O=S(=O)(Cc1ccc2ccccc2c1)c1cc2c(N3CCNCC3)nccc2s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
HTR6 P50406 9/20 0.42
MLNR O43193 1/20 0.40
HTR3A P46098 2/20 0.39
SLC6A4 P31645 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR5A P47898 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CETP P11597 1/20 0.37
PKM P14618 1/20 0.36

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 SCHEMBL1775421 0.99 HTR2C (0.46) HTR2CHTR6MLNRHTR3ASLC6A4
Hydrochloric Acid SCHEMBL6427659 0.95 HTR2C (0.42) HTR2CHTR6MLNRHTR3ASLC6A4
SCHEMBL1776417 0.89 HTR6 (0.48) HTR2CHTR6
Hydrochloric Acid SCHEMBL1774476 0.88 HTR6 (0.47) HTR2CHTR6
SCHEMBL1777105 0.85 HTR2C (0.45) HTR2CHTR6
SCHEMBL1775723 0.85 HTR6 (0.45) HTR2CHTR6
SCHEMBL1775983 0.85 HTR2C (0.42) HTR2CHTR6
Hydrochloric Acid SCHEMBL1774728 0.84 HTR2C (0.44) HTR2CHTR6
Hydrochloric Acid SCHEMBL1774377 0.84 HTR6 (0.45) HTR2CHTR6
Hydrochloric Acid SCHEMBL1774964 0.84 HTR2C (0.42) 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