SCHEMBL31114716

SCHEMBL31114716

Cc1nccnc1[C@H](Nc1c(Nc2ccc(Cl)c(C(=O)N(C)C)c2O)c(=O)c1=O)C1(C)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 12/20 0.61
▸ CXCR1 P25024 11/20 0.61
▸ CCR6 P51684 10/20 0.61
▸ CCR7 P32248 1/20 0.58
▸ CXCR3 P49682 3/20 0.44
▸ CCR4 P51679 1/20 0.44
▸ CXCR6 O00574 1/20 0.42
▸ ACKR3 P25106 1/20 0.42
▸ CXCR4 P61073 1/20 0.42

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
SCHEMBL31114664 0.91 CXCR2 (0.59) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL31114670 0.91 CCR6 (0.59) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL31114644 0.85 CCR6 (0.77) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL31114818 0.83 CCR6 (0.54) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL31114811 0.83 CCR6 (0.60) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL31114770 0.82 CXCR1 (0.62) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL32680109 0.82 CCR6 (0.58) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL31114711 0.81 CXCR2 (0.57) CXCR2CXCR1CCR6CCR7CXCR3
SCHEMBL31114797 0.81 CCR6 (0.65) CXCR2CXCR1CCR6CCR7
SCHEMBL31114686 0.81 CCR6 (0.73) CXCR2CXCR1CCR6CCR7CXCR3

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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