SCHEMBL6184568

SCHEMBL6184568

CN(C)CCCOc1ccccc1CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.54
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
F2 P00734 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
PRMT1 Q99873 1/20 0.46

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
SCHEMBL6184164 0.89 TBXA2R (0.58) TBXA2R
SCHEMBL6182528 0.87 TBXA2R (0.57) TBXA2R
SCHEMBL7227176 0.85 TBXA2R (0.57) TBXA2RALDH1A1
SCHEMBL6186223 0.85 TBXA2R (0.59) TBXA2R
Hydrochloric Acid SCHEMBL7227614 0.83 TBXA2R (0.56) TBXA2RALDH1A1
SCHEMBL6184959 0.82 ALDH1A1 (0.50) TBXA2RALDH1A1
SCHEMBL7235498 0.79 TBXA2R (0.59) TBXA2RALDH1A1
SCHEMBL11254742 0.79 HRH1 (0.59) PRMT1
SCHEMBL11260485 0.78 HRH1 (0.59)
SCHEMBL6187752 0.77 ABCB1 (0.61)

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
EP-1275641-B1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-01-12 EP claimed