SCHEMBL23905982

SCHEMBL23905982

Cc1cc2cc(C(=O)NCC(c3cc4c(c(-c5ccc(F)c(C(F)(F)F)c5)n3)OCC4C)C(F)(F)F)cc(OC3CC3)c2nn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
KLKB1 P03952 1/20 0.32
CNR2 P34972 1/20 0.31
SLC5A7 Q9GZV3 1/20 0.30
HRH1 P35367 1/20 0.30
CCR3 P51677 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
SCHEMBL23905663 0.93 SLC5A7 (0.30) EPHX2SLC5A7
SCHEMBL23905660 0.92 SLC5A7 (0.31) SLC5A7
SCHEMBL23905820 0.85 EPHX2 (0.31) EPHX2KLKB1CNR2
SCHEMBL23905426 0.83 AR (0.34) SLC5A7HRH1KCNH2
SCHEMBL23905558 0.82 GABRA5 (0.31)
SCHEMBL23905701 0.80 AR (0.35) HRH1KCNH2
SCHEMBL23905661 0.79 LMNA (0.33)
SCHEMBL24363581 0.78 SLC5A7 (0.38) EPHX2SLC5A7
SCHEMBL23905824 0.77
SCHEMBL23905636 0.76 POLB (0.33)

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed