SCHEMBL23619004

SCHEMBL23619004

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)OCCN3c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 18/20 0.49
▸ SCN9A Q15858 2/20 0.41
▸ SCN5A Q14524 1/20 0.41

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
SCHEMBL23619026 0.94 RORC (0.49) RORC
SCHEMBL23618980 0.91 RORC (0.42) RORCSCN9ASCN5A
SCHEMBL28634003 0.91 RORC (0.42) RORCSCN9ASCN5A
SCHEMBL28629232 0.88 RORC (0.48) RORC
SCHEMBL23619021 0.88 RORC (0.48) RORC
SCHEMBL28614477 0.85 RORC (0.48) RORC
SCHEMBL23619019 0.85 RORC (0.48) RORC
SCHEMBL28618414 0.85 RORC (0.42) RORCSCN9A
SCHEMBL23619014 0.85 RORC (0.42) RORCSCN9A
SCHEMBL21619696 0.83 RORC (0.51) RORC

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-2021136339-A1 AMIDE COMPOUND WITH BICYCLIC STRUCTURE AND USE THEREOF IN DRUG 广东东阳光药业有限公司 2021-07-08 — — WO disclosed
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