SCHEMBL23905822

SCHEMBL23905822

C[C@]1(C(N)=O)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3ncc(C(F)F)cc3c1)C(F)(F)F)nc2-c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.33

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
SCHEMBL23905421 0.94 GABRA5 (0.30) GABRA5
SCHEMBL23905262 0.94 GABRA5 (0.30) GABRA5
SCHEMBL24984978 0.90 GABRA5 (0.32) GABRA5
SCHEMBL23904759 0.90 GABRA5 (0.32) GABRA5
SCHEMBL24984979 0.90 GABRA5 (0.32) GABRA5
SCHEMBL24984882 0.88 PIK3CA (0.32) GABRA5
SCHEMBL24984881 0.88 PIK3CA (0.32) GABRA5
SCHEMBL23905261 0.88 PIK3CA (0.32) GABRA5
SCHEMBL23905259 0.88 GABRA5 (0.32) GABRA5
SCHEMBL23904753 0.88 GABRA5 (0.31) GABRA5

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