SCHEMBL299868

SCHEMBL299868

CN1C(=O)CSc2cc(-c3ccc(CC(C#N)C4CC(C(N)=O)CCO4)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 15/20 0.47
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
CTSK P43235 3/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL289369 0.85 CTSC (0.53) CTSCCTSK
SCHEMBL299206 0.84 CTSC (0.53) CTSCPDE3BPDE3ACTSK
SCHEMBL289754 0.79 CTSC (0.52) CTSCCTSK
SCHEMBL290171 0.78 CTSC (0.45) CTSCCTSK
SCHEMBL289949 0.78 CTSC (0.44) CTSCCTSK
SCHEMBL289986 0.78 CTSC (0.42) CTSC
SCHEMBL290338 0.77 CTSC (0.44) CTSC
SCHEMBL299869 0.76 CTSC (0.62) CTSCCTSK
SCHEMBL289901 0.76 CTSC (0.55) CTSCCTSK
SCHEMBL290567 0.76 CTSC (0.51) CTSCCTSK

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-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 EP claimed