SCHEMBL19789827

SCHEMBL19789827

CCCC[C@@H](CO)CSc1ccc(F)cc1Cc1cccc(N)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CCR2 P41597 2/20 0.32
KCNH2 Q12809 2/20 0.31
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
DDR1 Q08345 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL13620313 0.84 MAOA (0.38) TSHR
SCHEMBL19789753 0.84 MAOA (0.38) TSHR
SCHEMBL19789740 0.80 MAPK14 (0.36) DDR1
SCHEMBL19789790 0.78
SCHEMBL19789818 0.78 DDR1 (0.38) CCR2DDR1
SCHEMBL19789877 0.72 LMNA (0.35) TSHR
SCHEMBL19789770 0.69 CYP19A1 (0.38) TSHR
SCHEMBL19789665 0.69 DDR1 (0.35) CCR2DDR1
SCHEMBL19789724 0.68 MEN1 (0.39) TP53TSHR
SCHEMBL13620463 0.68 MEN1 (0.39) TP53TSHR

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
EP-2282991-B1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2018-01-24 EP disclosed