SCHEMBL23685205

SCHEMBL23685205

C[C@H](CNC(=O)c1cc(OC2CC2)c2ncccc2c1)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC2C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.34
SLC5A7 Q9GZV3 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH1 P35367 8/20 0.32
KCNH2 Q12809 8/20 0.32
ADORA2A P29274 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1A P35348 1/20 0.31
UGCG Q16739 1/20 0.31
WDR5 P61964 2/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL23685129 1.00 AR (0.34) ARSLC5A7KDM4EMEN1MAPK1
SCHEMBL23685199 0.85 AR (0.34) ARHRH1KCNH2HTR1AADRA1A
SCHEMBL23683774 0.84 AR (0.34) ARSLC5A7HRH1KCNH2
SCHEMBL23685128 0.84 AR (0.35) ARSLC5A7HRH1KCNH2
SCHEMBL23685206 0.84 AR (0.35) ARSLC5A7HRH1KCNH2
SCHEMBL23685131 0.84 AR (0.35) ARSLC5A7HRH1KCNH2
SCHEMBL23685138 0.82 AR (0.34) ARHRH1KCNH2
SCHEMBL23195642 0.82 AR (0.34) ARSLC5A7HRH1KCNH2ADORA2A
SCHEMBL23683776 0.81 SLC5A7 (0.38) SLC5A7MEN1KMT2A
SCHEMBL23683769 0.80 SLC5A7 (0.39) SLC5A7

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-2021150806-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2021-07-29 WO disclosed