SCHEMBL23905289

SCHEMBL23905289

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)C(N)=O)C(F)(F)F)cc2cc(C(F)F)cnc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32
GABRA5 P31644 3/20 0.31
RIPK1 Q13546 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
SCHEMBL23905262 0.93 GABRA5 (0.30) GABRA5
SCHEMBL23905421 0.93 GABRA5 (0.30) GABRA5
SCHEMBL23905277 0.93 GABRA5 (0.31) CFTRGABRA5
SCHEMBL24985910 0.93 CFTR (0.33) CFTRGABRA5
SCHEMBL24985908 0.93 CFTR (0.33) CFTRGABRA5
SCHEMBL26527287 0.93 CFTR (0.32) CFTRGABRA5
SCHEMBL24987250 0.93 CFTR (0.32) CFTRGABRA5
SCHEMBL23905737 0.93 CFTR (0.32) CFTRGABRA5
SCHEMBL23905285 0.92 GABRA5 (0.30) GABRA5
SCHEMBL25115568 0.92 CFTR (0.31) 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