SCHEMBL8087612

SCHEMBL8087612

CCCN(CCC)S(=O)(=O)N(Cc1c(OC)cccc1OC)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.43
LPAR5 Q9H1C0 3/20 0.43
TAS2R14 Q9NYV8 7/20 0.43
DRD2 P14416 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.39
LIMK2 P53671 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL8087753 0.81 TAS2R14 (0.55) LPAR1LPAR5TAS2R14HSD11B1LIMK2
SCHEMBL8087638 0.77 TAS2R14 (0.50) TAS2R14SMN1; SMN2HSD11B1LIMK2ALDH1A1
SCHEMBL8090718 0.77 TAS2R14 (0.47) TAS2R14SMN1; SMN2HSD11B1ALDH1A1KDM4E
SCHEMBL8090715 0.76 TAS2R14 (0.53) LPAR1TAS2R14HSD11B1LIMK2MEN1
SCHEMBL8086467 0.76 TAS2R14 (0.46) TAS2R14DRD2SMN1; SMN2HSD11B1MEN1
SCHEMBL8092540 0.75 TAS2R14 (0.50) LPAR1LPAR5TAS2R14ALDH1A1
SCHEMBL8092470 0.75 TAS2R14 (0.49) LPAR1LPAR5TAS2R14LIMK2
SCHEMBL8092409 0.75 HSD11B1 (0.47) DRD2SMN1; SMN2HSD11B1LIMK2
SCHEMBL8087752 0.75 CES2 (0.43) SMN1; SMN2HSD11B1
SCHEMBL8079240 0.73 CA12 (0.40) SMN1; SMN2HSD11B1ALDH1A1

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