SCHEMBL20979462

SCHEMBL20979462

CNC(=O)C1CCCC1CF

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.38
CTSK P43235 12/20 0.33
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31
MMP9 P14780 1/20 0.30
ADAM17 P78536 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
SCHEMBL29315212 0.78 GRM4 (0.42) GRM4CTSKCTSLCTSBMMP9
SCHEMBL11290575 0.77 GRM4 (0.41) GRM4CTSKCTSLCTSBMMP9
SCHEMBL7066347 0.77 GRM4 (0.41) GRM4CTSKCTSLCTSBMMP9
SCHEMBL30606190 0.77 GRM4 (0.39) GRM4CTSKCTSLCTSBMMP9
SCHEMBL29315213 0.76 CA1 (0.47) GRM4CTSKCTSLCTSB
SCHEMBL5909473 0.74 GRM4 (0.56) GRM4CTSKCTSB
SCHEMBL26344988 0.74 GRM4 (0.45) GRM4PSEN1PSEN2APH1BNCSTN
SCHEMBL29315215 0.73 BCHE (0.39) GRM4CTSK
SCHEMBL10169316 0.73 GRM4 (0.39) GRM4CTSKCTSLCTSB
SCHEMBL14086000 0.71 EPHX1 (0.50) GRM4PSEN1PSEN2APH1BNCSTN

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-2970335-B1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-05-08 EP disclosed