SCHEMBL18541231

SCHEMBL18541231

CCn1c(CNC(=O)c2nc(CI)cnc2N)[n+](CC)c2ccc(C(=O)NCCCNC)cc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD5 P21918 1/20 0.56
▸ SCNN1A P37088 1/20 0.56
▸ SCNN1B P51168 1/20 0.56
▸ SCNN1G P51170 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.56
▸ ACSS2 Q9NR19 5/20 0.34
▸ PIK3CA P42336 5/20 0.33
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18541230 0.95 DRD5 (0.58) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541246 0.93 DRD5 (0.57) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538904 0.90 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541313 0.89 DRD5 (0.68) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541253 0.87 DRD5 (0.70) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541233 0.86 DRD5 (0.53) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538899 0.85 DRD5 (0.71) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541247 0.84 DRD5 (0.54) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348258 0.84 DRD5 (0.67) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541248 0.83 DRD5 (0.64) 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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