SCHEMBL23905463

SCHEMBL23905463

C=C(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(C)CF)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.32

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
SCHEMBL23905699 0.92 CFTR (0.32) CFTR
SCHEMBL23905462 0.88 CFTR (0.36) CFTR
SCHEMBL23905341 0.87
SCHEMBL23905381 0.86 CFTR (0.33) CFTR
SCHEMBL24363605 0.83 CFTR (0.33) CFTR
SCHEMBL23904776 0.83 ADORA1 (0.31) CFTR
SCHEMBL23905723 0.83 ADORA2A (0.30)
SCHEMBL23904857 0.82 CYP11B1 (0.32)
SCHEMBL23905629 0.82
SCHEMBL31412420 0.82 GRM2 (0.34) CFTR

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