SCHEMBL14980666

SCHEMBL14980666

Cc1ccc(C(N)CS)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.53
IDO1 P14902 1/20 0.42
ENPEP Q07075 1/20 0.40
CHRNA7 P36544 1/20 0.39
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
CA7 P43166 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL3668921 0.80 CHRNA7 (0.42) IDO1CHRNA7ACHETDP1MAOA
SCHEMBL8286101 0.78 SLC6A4 (0.59) CHRNA7ACHETDP1MAOAMAOB
SCHEMBL3863807 0.78 SLC6A4 (0.59) CHRNA7ACHETDP1MAOAMAOB
SCHEMBL4707636 0.78 CYP1A2 (0.41) CHRNA7ACHETDP1MAOAMAOB
SCHEMBL3865060 0.78 SLC6A4 (0.59) CHRNA7ACHETDP1MAOAMAOB
SCHEMBL14981091 0.77 ANPEP (0.50) ANPEPIDO1ENPEPTDP1SLC6A4
Hydrochloric Acid SCHEMBL4933575 0.76 SLC6A4 (0.57) CHRNA7ACHETDP1MAOAMAOB
SCHEMBL3636547 0.76 CHRNA7 (0.39) ANPEPCHRNA7ACHETDP1MAOA
SCHEMBL17619269 0.76 CHRNA7 (0.39) ANPEPCHRNA7ACHETDP1MAOA
SCHEMBL12195403 0.76 CHRNA7 (0.39) ANPEPCHRNA7ACHETDP1MAOA

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-2634191-B1 Process for preparing derivatives of thienopyrimidinedione GLENMARK PHARMACEUTICALS SA (CH) 2014-12-24 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