SCHEMBL8087753

SCHEMBL8087753

CCCN(CCC)S(=O)(=O)N(Cc1cccc(OC)c1)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 7/20 0.55
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
MEP1B Q16820 1/20 0.47
HSD17B2 P37059 2/20 0.47
LIMK2 P53671 1/20 0.45
HSD11B1 P28845 1/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR5 Q9H1C0 2/20 0.44
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
CALM1 P0DP23 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
TSPO P30536 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL8092470 0.90 TAS2R14 (0.49) TAS2R14PTGESALOX5LIMK2LPAR1
SCHEMBL8090715 0.85 TAS2R14 (0.53) TAS2R14PTGESHSD17B2LIMK2HSD11B1
SCHEMBL8090727 0.81 TRPM8 (0.51) PTGESHSD11B1
SCHEMBL8087612 0.81 LPAR1 (0.43) TAS2R14LIMK2HSD11B1LPAR1LPAR5
SCHEMBL8092540 0.80 TAS2R14 (0.50) TAS2R14PTGESALOX5LPAR1LPAR5
SCHEMBL8087638 0.79 TAS2R14 (0.50) TAS2R14LIMK2HSD11B1
SCHEMBL8092409 0.77 HSD11B1 (0.47) LIMK2HSD11B1
SCHEMBL8079261 0.75 HSD11B1 (0.45) LIMK2HSD11B1LPAR1SIGMAR1
SCHEMBL8090718 0.74 TAS2R14 (0.47) TAS2R14HSD11B1
SCHEMBL6783667 0.73 PTGES (0.76) TAS2R14PTGESALOX5MEP1BHSD17B2

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