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Sugi Predict / Compounds / SCHEMBL21616629

SCHEMBL21616629

SCHEMBL21616629

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc(N3CC(c4ccc(C(F)(F)F)cc4)CC[C@H]3C(=O)N(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 18/20 0.44
▸ UTS2R Q9UKP6 1/20 0.40
▸ PDE2A O00408 1/20 0.39

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
SCHEMBL21616635 0.95 RORC (0.44) RORCUTS2RPDE2A
SCHEMBL21620187 0.94 RORC (0.43) RORCUTS2RPDE2A
SCHEMBL28546300 0.93 RORC (0.43) RORCPDE2A
SCHEMBL21619521 0.93 RORC (0.43) RORCPDE2A
SCHEMBL21619516 0.93 RORC (0.43) RORCPDE2A
SCHEMBL21619980 0.93 RORC (0.44) RORCUTS2RPDE2A
SCHEMBL21616636 0.93 RORC (0.43) RORCUTS2RPDE2A
SCHEMBL21619662 0.93 RORC (0.42) RORCUTS2RPDE2A
SCHEMBL23632472 0.92 RORC (0.41) RORCUTS2RPDE2A
SCHEMBL23632471 0.92 RORC (0.41) RORCUTS2RPDE2A

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-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 — — CN disclosed
WO-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 — — WO disclosed
WO-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 — — WO disclosed
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