SCHEMBL23905841

SCHEMBL23905841

CC1COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncc(C(F)F)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.31
PIK3CA P42336 1/20 0.30
AR P10275 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
SCHEMBL23904864 1.00 GABRA5 (0.31) GABRA5PIK3CAAR
SCHEMBL23904905 0.94 GABRA5 (0.33) GABRA5AR
SCHEMBL23905415 0.94 GABRA5 (0.32) GABRA5PIK3CAAR
SCHEMBL23905558 0.85 GABRA5 (0.31) GABRA5AR
SCHEMBL23904861 0.85 GABRA5 (0.31) GABRA5
SCHEMBL23905406 0.85 GABRA5 (0.34) GABRA5
SCHEMBL23905266 0.85 GABRA5 (0.31) GABRA5
SCHEMBL25117183 0.85 SSTR5 (0.31) GABRA5PIK3CAAR
SCHEMBL25116014 0.85 GABRA5 (0.32) GABRA5AR
SCHEMBL24988035 0.84 ALDH1A1 (0.32) 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