SCHEMBL23619020

SCHEMBL23619020

CCS(=O)(=O)c1ccc([C@H](CC#N)NC(=O)c2ccc3c(c2)OCCN3C(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ RORC P51449 15/20 0.42
▸ PDE2A O00408 1/20 0.40
▸ SCN9A Q15858 1/20 0.37
▸ MTTP P55157 1/20 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
SCHEMBL28618421 1.00 IDO1 (0.42) IDO1KCNH2RORCPDE2ASCN9A
SCHEMBL23619018 0.91 RORC (0.41) IDO1KCNH2RORCPDE2ASCN9A
SCHEMBL28621553 0.91 RORC (0.41) IDO1KCNH2RORCPDE2ASCN9A
SCHEMBL28614465 0.90 RORC (0.44) RORCPDE2ASCN9A
SCHEMBL23619080 0.90 RORC (0.44) RORCPDE2ASCN9A
SCHEMBL28634003 0.90 RORC (0.42) RORCPDE2ASCN9A
SCHEMBL23618980 0.90 RORC (0.42) RORCPDE2ASCN9A
SCHEMBL23619089 0.89 RORC (0.42) RORCPDE2A
SCHEMBL28615097 0.89 RORC (0.42) RORCPDE2A
SCHEMBL23619011 0.88 RORC (0.49) 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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