SCHEMBL18568898

SCHEMBL18568898

CN(Sc1cccs1)c1cccc2cc(-c3ncc(CCC(=O)NS(C)(=O)=O)s3)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.36
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NR4A2 P43354 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PLA2G10 O15496 1/20 0.31
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL18568596 0.90 GCK (0.31) GCKCYP2C8CYP2C9HCAR2
SCHEMBL18568986 0.88 GCK (0.36) GCK
SCHEMBL18568741 0.87 GCK (0.31) GCK
SCHEMBL1653299 0.86 GCK (0.36) GCKMTNR1AMTNR1BNR4A2CYP4F2
SCHEMBL18569100 0.85
SCHEMBL18568743 0.85 GCK (0.34) GCK
SCHEMBL18568913 0.83
SCHEMBL18569087 0.83 SRC (0.30)
SCHEMBL18569106 0.82 HTR2C (0.34) CYP4F2CYP4A11
SCHEMBL18569067 0.82

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-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed