SCHEMBL23905269

SCHEMBL23905269

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.34
GABRA5 P31644 4/20 0.33
NR3C1 P04150 1/20 0.30
ABCB1 P08183 1/20 0.30
ABCC1 P33527 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
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
SCHEMBL23904693 0.93 GABRA5 (0.34) CFTRGABRA5ABCB1ABCC1
SCHEMBL23905315 0.93 GABRA5 (0.34) CFTRGABRA5ABCB1ABCC1
SCHEMBL23905865 0.93 GABRA5 (0.34) CFTRGABRA5ABCB1ABCC1
SCHEMBL23905286 0.92 GABRA5 (0.33) CFTRGABRA5ABCB1ABCC1
SCHEMBL23905318 0.91 GABRA5 (0.32) CFTRGABRA5
SCHEMBL23904795 0.91 GABRA5 (0.32) CFTRGABRA5
SCHEMBL23905687 0.90 CFTR (0.33) CFTRGABRA5ADORA2AADORA2BADORA1
SCHEMBL23905818 0.89 GABRA5 (0.34) CFTRGABRA5ABCB1ABCC1ADORA2A
SCHEMBL23905668 0.88 CFTR (0.34) CFTRGABRA5
SCHEMBL23905673 0.88 CFTR (0.32) 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