SCHEMBL8092540

SCHEMBL8092540

CCCN(CCC)S(=O)(=O)N(CCc1ccc(OC)cc1)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.50
LPAR1 Q92633 2/20 0.49
LPAR5 Q9H1C0 2/20 0.49
ALDH1A1 P00352 1/20 0.47
ALOX5 P09917 2/20 0.47
PTGES O14684 1/20 0.46
TAS2R8 Q9NYW2 1/20 0.46
CXCR3 P49682 1/20 0.46
BMP1 P13497 5/20 0.45
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8092409 0.89 HSD11B1 (0.47) RAB9A
SCHEMBL8092470 0.88 TAS2R14 (0.49) TAS2R14LPAR1LPAR5ALOX5PTGES
SCHEMBL8079204 0.87 CNR2 (0.47) TAS2R14ALDH1A1MAPTNPC1RAB9A
SCHEMBL8086489 0.82 ALDH1A1 (0.49) ALDH1A1BMP1NPC1RAB9A
SCHEMBL8079261 0.82 HSD11B1 (0.45) LPAR1
SCHEMBL8087753 0.80 TAS2R14 (0.55) TAS2R14LPAR1LPAR5ALOX5PTGES
SCHEMBL8090675 0.77 TAAR1 (0.43) TAS2R14RAB9A
SCHEMBL8087752 0.76 CES2 (0.43) ALOX5PTGESNPC1RAB9A
SCHEMBL8087638 0.76 TAS2R14 (0.50) TAS2R14ALDH1A1MAPTNPC1RAB9A
SCHEMBL8087708 0.76 TRPM8 (0.45) ALDH1A1MAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047670-A1 AMINOSULPHONYLBENZAMIDE DERIVATIVES AS MODULATORS OF THE ACTIVITY OF NEURONAL CALCIUM CHANNELS ELI LILLY AND COMPANY LIMITED (GB) 2000-11-02 EP disclosed
WO-1999036398-A1 AMINOSULPHONYLBENZAMIDE DERIVATIVES AS MODULATORS OF THE ACTIVITY OF NEURONAL CALCIUM CHANNELS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-22 WO disclosed