SCHEMBL14980665

SCHEMBL14980665

NC(CS)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.53
ADRB2 P07550 1/20 0.50
SCN4A P35499 2/20 0.44
SLC6A4 P31645 2/20 0.43
IDO1 P14902 2/20 0.42
TDO2 P48775 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ENPEP Q07075 1/20 0.40
SLC6A2 P23975 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL14142191 0.78 ADRB2 (0.52) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL1953110 0.78 ADRB2 (0.52) ADRB2SCN4ASLC6A4TSHRSLC6A3
SCHEMBL393010 0.76 ADRB2 (0.50) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL14981127 0.76 ANPEP (0.40) ANPEPADRB2SCN4AIDO1TDO2
SCHEMBL19134392 0.76 ANPEP (0.53) ANPEPMAPK1ENPEP
Hydrochloric Acid SCHEMBL25367507 0.76 ADRB2 (0.50) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL14980666 0.76 ANPEP (0.53) ANPEPSLC6A4IDO1TDP1ENPEP
SCHEMBL1977034 0.76 SLC6A4 (0.57) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL390989 0.76 SLC6A4 (0.57) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL1307450 0.76 ADRB2 (0.50) ADRB2SCN4ASLC6A4IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411393-B1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2014-01-22 EP disclosed
EP-2634191-A1 Process for preparing derivatives of thienopyrimidinedione Glenmark Pharmaceuticals S.A. (CH) 2013-09-04 EP disclosed
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed