SCHEMBL31114797

SCHEMBL31114797

CC#C[C@H](Nc1c(Nc2ccc(Cl)c(C(=O)N(C)C)c2O)c(=O)c1=O)C1(C)CCCC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 14/20 0.65
▸ CXCR2 P25025 6/20 0.58
▸ CXCR1 P25024 3/20 0.58
▸ CCR7 P32248 1/20 0.45

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
SCHEMBL31114731 0.82 CCR6 (0.66) CCR6CXCR2CXCR1CCR7
SCHEMBL31114716 0.81 CXCR2 (0.61) CCR6CXCR2CXCR1CCR7
SCHEMBL31114664 0.79 CXCR2 (0.59) CCR6CXCR2CXCR1CCR7
SCHEMBL20721218 0.79 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL20721297 0.76 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL14895035 0.73 CXCR1 (1.00) CCR6CXCR2CXCR1
SCHEMBL14895070 0.73 CXCR1 (1.00) CCR6CXCR2CXCR1
SCHEMBL31114670 0.73 CCR6 (0.59) CCR6CXCR2CXCR1CCR7
SCHEMBL31114834 0.72 CCR6 (0.60) CCR6CXCR2CXCR1CCR7
SCHEMBL24755299 0.72 CCR6 (0.69) CCR6CXCR2CXCR1

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
EP-4703354-A1 COMPOUND AS CCR6 ANTAGONIST, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Wuhan Createrna Science and Technology Co.,Ltd. (CN) 2026-03-04 — — EP disclosed
WO-2024222865-A1 COMPOUND AS CCR6 ANTAGONIST, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 武汉朗来科技发展有限公司 2024-10-31 — — WO disclosed
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