SCHEMBL23905403

SCHEMBL23905403

O=C(NC[C@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2CF)C(F)(F)F)c1cc(OC2CC2)c2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.35
POLB P06746 1/20 0.32
KCNH2 Q12809 2/20 0.32
SSTR5 P35346 1/20 0.32
P2RX7 Q99572 2/20 0.30
HRH1 P35367 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
SCHEMBL25116014 0.90 GABRA5 (0.32) ARKCNH2SSTR5
SCHEMBL23195978 0.85 AR (0.34) ARPOLBKCNH2SSTR5HRH1
SCHEMBL23905268 0.85 AR (0.34) ARPOLB
SCHEMBL25117183 0.85 SSTR5 (0.31) ARSSTR5
SCHEMBL23905415 0.84 GABRA5 (0.32) AR
SCHEMBL23905481 0.84 AR (0.34) ARPOLBKCNH2HRH1
SCHEMBL24345438 0.84 POLB (0.38) POLBP2RX7
SCHEMBL23683773 0.84 AR (0.35) ARPOLBKCNH2HRH1
SCHEMBL24987227 0.83 AR (0.36) ARPOLBKCNH2HRH1
SCHEMBL23959003 0.83 AR (0.38) ARPOLBKCNH2SSTR5HRH1

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