SCHEMBL23685145

SCHEMBL23685145

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)C2CC2)cc2ccc(C)nc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32
GABRA5 P31644 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
NTRK1 P04629 1/20 0.30
NTRK2 Q16620 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
SCHEMBL23717366 0.93 ENPP2 (0.32) GABRA5
SCHEMBL23717045 0.90 POLB (0.37) CFTRGABRA5POLBKMT2A
SCHEMBL23717324 0.87 CFTR (0.31) CFTRGABRA5
SCHEMBL24345713 0.87 CFTR (0.31) CFTRGABRA5
SCHEMBL23717101 0.87 CFTR (0.34) CFTR
SCHEMBL23685126 0.85 ENPP2 (0.32)
SCHEMBL23717502 0.83 AR (0.35) POLB
SCHEMBL24363729 0.82 POLB (0.38) CFTRPOLBKMT2A
SCHEMBL24345444 0.81 CSNK1D (0.34)
SCHEMBL23683778 0.81 POLB (0.38) CFTRGABRA5POLBKMT2A

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