SCHEMBL23619089

SCHEMBL23619089

CCS(=O)(=O)c1ccc([C@H](CC#N)NC(=O)c2ccc3c(c2)OCCN3Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 18/20 0.42
▸ PDE2A O00408 1/20 0.39
▸ PTGER4 P35408 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
SCHEMBL28615097 1.00 RORC (0.42) RORCPDE2APTGER4
SCHEMBL23619009 0.94 RORC (0.42) RORCPDE2A
SCHEMBL28621544 0.94 RORC (0.42) RORCPDE2A
SCHEMBL28629889 0.93 RORC (0.49) RORCPDE2A
SCHEMBL23619011 0.93 RORC (0.49) RORCPDE2A
SCHEMBL23619021 0.92 RORC (0.48) RORC
SCHEMBL28629232 0.92 RORC (0.48) RORC
SCHEMBL23619080 0.90 RORC (0.44) RORCPDE2A
SCHEMBL28614465 0.90 RORC (0.44) RORCPDE2A
SCHEMBL23619018 0.89 RORC (0.41) 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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