SCHEMBL23632216

SCHEMBL23632216

CCS(=O)(=O)c1ccc([C@H](CC#N)NC(=O)c2ccc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3COC(F)F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.38
▸ PDE2A O00408 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ FFAR1 O14842 1/20 0.34

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
SCHEMBL23632214 1.00 RORC (0.38) RORCPDE2AUTS2RTACR1FFAR1
SCHEMBL23632212 1.00 RORC (0.38) RORCPDE2AUTS2RTACR1FFAR1
SCHEMBL23632086 0.92 RORC (0.36) RORC
SCHEMBL23642247 0.89 RORC (0.35) RORCTACR1
SCHEMBL28624258 0.87 RORC (0.37) RORCPDE2ATACR1FFAR1
SCHEMBL28624256 0.87 RORC (0.37) RORCPDE2ATACR1FFAR1
SCHEMBL28609533 0.87 HDAC3 (0.36) RORCPDE2A
SCHEMBL28609531 0.87 HDAC3 (0.36) RORCPDE2A
SCHEMBL28916006 0.85 RORC (0.46) RORC
SCHEMBL28916004 0.85 RORC (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 — — CN disclosed
WO-2021139595-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 — — WO disclosed
CN-113072542-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 — — CN disclosed
Send feedback