SCHEMBL23685199

SCHEMBL23685199

O=C(NCC(O)(c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OC[C@H]2C(F)(F)F)C1CC1)c1cc(OC2CC2)c2ncccc2c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.34
HTR1A P08908 1/20 0.32
ADRA1A P35348 1/20 0.32
P2RX7 Q99572 1/20 0.31
HRH1 P35367 1/20 0.30
KCNH2 Q12809 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
SCHEMBL23717502 0.92 AR (0.35) ARHRH1KCNH2
SCHEMBL23685220 0.89 ENPP2 (0.34) AR
SCHEMBL23683796 0.87 MAPT (0.36) AR
SCHEMBL23717288 0.86 EPHX2 (0.35)
SCHEMBL23685219 0.86 EPHX2 (0.35)
SCHEMBL23674638 0.85 AR (0.34) ARHTR1AADRA1A
SCHEMBL23674640 0.85 AR (0.34) ARHTR1AADRA1A
SCHEMBL23717045 0.85 POLB (0.37) HTR1AP2RX7
SCHEMBL23685205 0.85 AR (0.34) ARHTR1AADRA1AP2RX7HRH1
SCHEMBL23685126 0.84 ENPP2 (0.32)

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