SCHEMBL23619014

SCHEMBL23619014

CCS(=O)(=O)c1ccc([C@H](CC#N)NC(=O)c2ccc3c(c2)N(c2ccc(C(F)(F)F)cc2)CCO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.42
▸ PDE2A O00408 1/20 0.40
▸ SCN9A Q15858 1/20 0.37
▸ PIK3CD O00329 2/20 0.37

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
SCHEMBL28618414 1.00 RORC (0.42) RORCPDE2ASCN9APIK3CD
SCHEMBL23618980 0.94 RORC (0.42) RORCPDE2ASCN9A
SCHEMBL28634003 0.94 RORC (0.42) RORCPDE2ASCN9A
SCHEMBL23619026 0.91 RORC (0.49) RORC
SCHEMBL23619009 0.89 RORC (0.42) RORCPDE2A
SCHEMBL28621544 0.89 RORC (0.42) RORCPDE2A
SCHEMBL23619013 0.88 PDE2A (0.40) RORCPDE2APIK3CD
SCHEMBL23619020 0.85 IDO1 (0.42) RORCPDE2ASCN9A
SCHEMBL23619080 0.85 RORC (0.44) RORCPDE2ASCN9A
SCHEMBL28614465 0.85 RORC (0.44) RORCPDE2ASCN9A

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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