SCHEMBL21361612

SCHEMBL21361612

COc1cccc([C@@H]2CCCN(SN3CCCN(CC4CCCCC4)CCCN(S(=O)(=O)c4ccc(N(C)C)cc4)C[C@H](C)C3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
SCN9A Q15858 1/20 0.40
DRD3 P35462 5/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
USP5 P45974 1/20 0.38
OPRK1 P41145 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
BCL9 O00512 2/20 0.37
CTNNB1 P35222 2/20 0.37
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.36
KDM2B Q8NHM5 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21361410 0.91 DRD2 (0.44) DRD2SCN9ADRD3DRD1DRD4
SCHEMBL21361413 0.82 SCN9A (0.47) SCN9ANPSR1TSHRGAAMEN1
SCHEMBL23102112 0.80 MAPT (0.49) OPRK1ALOX15TSHRKCNH2MEN1
SCHEMBL23102215 0.77 NPSR1 (0.46) SCN9AUSP5OPRK1NPSR1TSHR
SCHEMBL23102082 0.77 NPSR1 (0.46) SCN9AUSP5OPRK1NPSR1TSHR
SCHEMBL24755310 0.77 NPSR1 (0.46) SCN9AUSP5OPRK1NPSR1TSHR
SCHEMBL21361570 0.77 SCN9A (0.48) DRD2SCN9ADRD3DRD1DRD4
SCHEMBL21361421 0.77 SCN9A (0.48) DRD2SCN9ADRD3DRD1DRD4
SCHEMBL24755316 0.76 HSD11B1 (0.40) SCN9AOPRK1NPSR1ALOX15TSHR
SCHEMBL23102066 0.76 NPSR1 (0.46) SCN9AOPRK1NPSR1TSHRGAA

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
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed