SCHEMBL23905937

SCHEMBL23905937

C[C@]1(C(=O)NCC(F)(F)F)COc2c1cc([C@@H](CN)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.33
CFTR P13569 4/20 0.33
ULK1 O75385 4/20 0.33
KCNH2 Q12809 2/20 0.31
CYP3A4 P08684 1/20 0.31
GRM2 Q14416 1/20 0.30
NR3C1 P04150 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
SCHEMBL23905511 0.92 CFTR (0.31) CFTR
SCHEMBL23905423 0.88 GRM2 (0.31) CFTRKCNH2CYP3A4GRM2
SCHEMBL23905308 0.88 GRM2 (0.31) CFTRKCNH2CYP3A4GRM2
SCHEMBL23905800 0.82 PTGS1 (0.31)
SCHEMBL24363612 0.82 PTGS1 (0.31)
SCHEMBL23904779 0.78 ADORA2A (0.31)
SCHEMBL23905353 0.77
SCHEMBL23904889 0.77
SCHEMBL23196145 0.77 CNR2 (0.32) KCNH2NR3C1
SCHEMBL23196090 0.76 CKS1B (0.32)

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