SCHEMBL23904755

SCHEMBL23904755

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
TRPV1 Q8NER1 2/20 0.32
CYP2C9 P11712 1/20 0.30
IDO1 P14902 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
SCHEMBL23904764 1.00 CFTR (0.33) CFTRTRPV1CYP2C9IDO1
SCHEMBL24986093 0.89 CFTR (0.41) CFTRTRPV1CYP2C9IDO1
SCHEMBL23905374 0.89 CFTR (0.33) CFTRTRPV1CYP2C9IDO1
SCHEMBL23905533 0.89 CFTR (0.33) CFTRTRPV1CYP2C9IDO1
SCHEMBL23904752 0.88 GRM2 (0.34) CFTR
SCHEMBL23904871 0.86 CFTR (0.33) CFTRTRPV1
SCHEMBL23905407 0.86 CFTR (0.33) CFTRTRPV1
SCHEMBL31412435 0.86 CFTR (0.33) CFTRTRPV1
SCHEMBL23905581 0.86 CFTR (0.33) CFTRTRPV1
SCHEMBL23905616 0.86 DPP4 (0.36) CFTRCYP2C9

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