SCHEMBL18541247

SCHEMBL18541247

CCn1c(CNC(=O)c2nc(CI)cnc2N)[n+](CC)c2ccc(C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD5 P21918 1/20 0.54
▸ SCNN1A P37088 1/20 0.54
▸ SCNN1B P51168 1/20 0.54
▸ SCNN1G P51170 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.54
▸ ACSS2 Q9NR19 7/20 0.34
▸ PIK3CA P42336 2/20 0.32
▸ RORC P51449 3/20 0.31
▸ ACVR1 Q04771 2/20 0.30

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
SCHEMBL18538926 0.91 DRD5 (0.66) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541230 0.85 DRD5 (0.58) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538906 0.84 DRD5 (0.64) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541246 0.84 DRD5 (0.57) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541231 0.84 DRD5 (0.56) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541249 0.81 DRD5 (0.73) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541248 0.81 DRD5 (0.64) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541232 0.80 DRD5 (0.56) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541360 0.80 DRD5 (0.81) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541233 0.80 DRD5 (0.53) DRD5SCNN1ASCNN1BSCNN1GHRH3

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-2017028926-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 — — WO disclosed
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