SCHEMBL13665205

SCHEMBL13665205

COc1cc(C)c(S(=O)(=O)NC(CCn2ccnc2NO)C(=O)N2CCC(C)CC2)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 13/20 0.52
▸ AVPR1B P47901 2/20 0.48
▸ AVPR1A P37288 2/20 0.45
▸ PLG P00747 1/20 0.43

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
SCHEMBL13665170 0.88 CCR10 (0.57) CCR10
SCHEMBL1083519 0.87 CCR10 (0.65) CCR10AVPR1BAVPR1APLG
SCHEMBL13665186 0.85 CCR10 (0.53) CCR10
SCHEMBL13665620 0.85 CCR10 (0.52) CCR10
SCHEMBL13665543 0.84 CCR10 (0.59) CCR10
SCHEMBL13665619 0.83 CCR10 (0.52) CCR10
SCHEMBL13665849 0.83 CCR10 (0.56) CCR10AVPR1BAVPR1APLG
SCHEMBL13665192 0.82 CCR10 (0.51) CCR10
SCHEMBL13665174 0.82 CCR10 (0.62) CCR10
SCHEMBL13665890 0.81 CCR10 (0.51) CCR10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 — — WO disclosed
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