SCHEMBL23905286

SCHEMBL23905286

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.33
MCHR1 Q99705 4/20 0.33
CFTR P13569 3/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
ABCB1 P08183 1/20 0.30
ABCC1 P33527 1/20 0.30
HTR2C P28335 3/20 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) GABRA5CFTRMAPTABCB1ABCC1
SCHEMBL23905315 0.93 GABRA5 (0.34) GABRA5CFTRABCB1ABCC1
SCHEMBL23905865 0.93 GABRA5 (0.34) GABRA5CFTRABCB1ABCC1
SCHEMBL23905269 0.92 CFTR (0.34) GABRA5CFTRABCB1ABCC1
SCHEMBL23905318 0.91 GABRA5 (0.32) GABRA5CFTR
SCHEMBL23904795 0.91 GABRA5 (0.32) GABRA5CFTR
SCHEMBL23905687 0.90 CFTR (0.33) GABRA5CFTRPOLBKMT2AMAPT
SCHEMBL23905347 0.89 CFTR (0.32) GABRA5CFTR
SCHEMBL23905818 0.89 GABRA5 (0.34) GABRA5CFTRMAPTABCB1ABCC1
SCHEMBL23905668 0.88 CFTR (0.34) GABRA5CFTRPOLBKMT2A

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