SCHEMBL23618980

SCHEMBL23618980

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.42
▸ SCN9A Q15858 10/20 0.42
▸ PDE2A O00408 1/20 0.40
▸ SCN5A Q14524 5/20 0.38

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
SCHEMBL28634003 1.00 RORC (0.42) RORCSCN9APDE2ASCN5A
SCHEMBL23619014 0.94 RORC (0.42) RORCSCN9APDE2A
SCHEMBL28618414 0.94 RORC (0.42) RORCSCN9APDE2A
SCHEMBL23619004 0.91 RORC (0.49) RORCSCN9ASCN5A
SCHEMBL28618421 0.90 IDO1 (0.42) RORCSCN9APDE2A
SCHEMBL28614465 0.90 RORC (0.44) RORCSCN9APDE2A
SCHEMBL23619080 0.90 RORC (0.44) RORCSCN9APDE2A
SCHEMBL23619020 0.90 IDO1 (0.42) RORCSCN9APDE2A
SCHEMBL23619089 0.89 RORC (0.42) RORCPDE2A
SCHEMBL28615097 0.89 RORC (0.42) RORCPDE2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121463-A Amide compound with bicyclic structure and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 — — CN disclosed
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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