SCHEMBL23196145

SCHEMBL23196145

C[C@]1(C(N)=O)COc2c1cc(C(CN)C(F)(F)F)nc2-c1ccc(F)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.32
TRPV1 Q8NER1 3/20 0.32
TGFBR1 P36897 3/20 0.32
TGFBR2 P37173 3/20 0.32
CASP1 P29466 1/20 0.31
PGR P06401 2/20 0.31
CTSA P10619 2/20 0.31
CNR1 P21554 1/20 0.30
KCNH2 Q12809 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
NR3C1 P04150 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 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
SCHEMBL23905423 0.88 GRM2 (0.31) KCNH2
SCHEMBL23905308 0.88 GRM2 (0.31) KCNH2
SCHEMBL24984672 0.81 CNR2 (0.33) CNR2TRPV1TGFBR1TGFBR2CASP1
SCHEMBL24984667 0.81 TRPV1 (0.35) CNR2TRPV1TGFBR1TGFBR2CASP1
SCHEMBL24985729 0.81 TRPV1 (0.35) CNR2TRPV1TGFBR1TGFBR2CASP1
SCHEMBL26569820 0.81 CNR2 (0.30) CNR2
SCHEMBL26526274 0.81 TRPV1 (0.34) CNR2TRPV1TGFBR1TGFBR2CASP1
SCHEMBL24984696 0.79 TGFBR1 (0.33) CNR2TRPV1TGFBR1TGFBR2CASP1
SCHEMBL24984694 0.79 TGFBR1 (0.33) CNR2TRPV1TGFBR1TGFBR2CASP1
SCHEMBL23905511 0.77 CFTR (0.31)

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
WO-2021066922-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2021-04-08 WO disclosed