SCHEMBL11079730

SCHEMBL11079730

CCN1CCCC1CNC(=O)c1cc(NS(C)(=O)=O)c(C)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.65
DRD3 P35462 4/20 0.64
TSHR P16473 3/20 0.64
ADRA2B P18089 2/20 0.64
ADRA2C P18825 2/20 0.64
HTR2B P41595 2/20 0.64
KCNH2 Q12809 2/20 0.64
HRH3 Q9Y5N1 2/20 0.64
ALOX15 P16050 2/20 0.64
MAPK1 P28482 2/20 0.64
LMNA P02545 2/20 0.64
ADRA2A P08913 2/20 0.64
HTR2A P28223 1/20 0.64
HTR7 P34969 1/20 0.64
HRH1 P35367 1/20 0.64
SLC6A4 P31645 1/20 0.63
CA2 P00918 2/20 0.62
DRD1 P21728 2/20 0.62
DRD4 P21917 2/20 0.62
CA9 Q16790 2/20 0.62

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
SCHEMBL11084539 0.93 DRD2 (0.68) DRD2DRD3TSHRADRA2BADRA2C
SCHEMBL11085879 0.92 DRD2 (0.65) DRD2DRD3TSHRADRA2BADRA2C
SCHEMBL11090817 0.91 DRD2 (0.66) DRD2DRD3TSHRADRA2BADRA2C
SCHEMBL11086951 0.91 DRD2 (0.66) DRD2DRD3TSHRADRA2BADRA2C
SCHEMBL11238878 0.91 DRD2 (0.66) DRD2DRD3TSHRADRA2BADRA2C
SCHEMBL11075409 0.90 DRD2 (0.64) DRD2DRD3TSHRADRA2BADRA2C
SCHEMBL11090818 0.90 TSHR (0.65) DRD2DRD3TSHRADRA2BADRA2C
SCHEMBL11086146 0.90 TSHR (0.75) DRD2DRD3TSHRADRA2BADRA2C
SCHEMBL11079125 0.90 DRD2 (0.64) DRD2DRD3TSHRADRA2BADRA2C
SCHEMBL11084314 0.90 DRD2 (0.65) DRD2DRD3TSHRADRA2BADRA2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350635-A ANTIEMETICS, NEUROLEPTIC AGENTS SHIONOGI & CO., LTD. (JP) 1982-09-21 US claimed
US-4431663-A ANTIULCER AND NEUROLEPTIC AGENTS; ANTIEMETICS SHIONOGI & CO., LTD. (JP) 1984-02-14 US disclosed
US-4351770-A Preparation of N(2-pyrrolidinylmethyl)2-methoxy-5-benzenesulfonamidobenzamides SHIONOGI & CO., LTD. (JP) 1982-09-28 US disclosed
US-4350635-A ANTIEMETICS, NEUROLEPTIC AGENTS SHIONOGI & CO., LTD. (JP) 1982-09-21 US disclosed
US-4330472-A Meta-sulfonamido-benzamide derivatives SHIONOGI & CO., LTD. (JP) 1982-05-18 US disclosed
US-4328155-A ANTIEMETIC OR PSYCHOTROPIC AGENT SHIONOGI & CO., LTD. (JP) 1982-05-04 US disclosed
US-4328344-A ANTIEMETIC SHIONOGI & CO., LTD. (JP) 1982-05-04 US disclosed