SCHEMBL23905256

SCHEMBL23905256

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)CF)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.34
GABRA5 P31644 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL23905595 1.00 CFTR (0.34) CFTRGABRA5ADORA2AADORA2BADORA1
SCHEMBL23905687 0.93 CFTR (0.33) CFTRGABRA5ADORA2AADORA2BADORA1
SCHEMBL23905299 0.92 CFTR (0.31) CFTRGABRA5
SCHEMBL23905830 0.92 CFTR (0.31) CFTRGABRA5
SCHEMBL23905825 0.92 CFTR (0.31) CFTRGABRA5
SCHEMBL23905728 0.92 GABRA5 (0.34) CFTRGABRA5
SCHEMBL23905868 0.92 GABRA5 (0.34) CFTRGABRA5
SCHEMBL23905870 0.92 GABRA5 (0.34) CFTRGABRA5
SCHEMBL23904877 0.91 CFTR (0.32) CFTRGABRA5ADORA2AADORA2BADORA1
SCHEMBL25113797 0.90 CFTR (0.33) CFTRGABRA5ADORA2AADORA2BADORA1

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