SCHEMBL23905754

SCHEMBL23905754

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)CF)C(F)(F)F)cc2cnc(CO)nc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32
GABRA5 P31644 4/20 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
SCHEMBL23905752 1.00 CFTR (0.32) CFTRGABRA5
SCHEMBL23904801 0.93 GABRA5 (0.32) CFTRGABRA5
SCHEMBL23905753 0.92 GABRA5 (0.34) CFTRGABRA5
SCHEMBL23905748 0.92 GABRA5 (0.34) CFTRGABRA5
SCHEMBL23905751 0.92 GABRA5 (0.34) CFTRGABRA5
SCHEMBL23905560 0.90 CFTR (0.33) CFTRGABRA5
SCHEMBL23905249 0.90 CFTR (0.33) CFTRGABRA5
SCHEMBL23905541 0.90 CFTR (0.33) CFTRGABRA5
SCHEMBL23905728 0.89 GABRA5 (0.34) CFTRGABRA5
SCHEMBL23905870 0.89 GABRA5 (0.34) CFTRGABRA5

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