SCHEMBL18550972

SCHEMBL18550972

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD5 P21918 1/20 0.49
▸ SCNN1A P37088 1/20 0.49
▸ SCNN1B P51168 1/20 0.49
▸ SCNN1G P51170 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ ADORA2A P29274 5/20 0.33
▸ ADORA2B P29275 4/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ MAPT P10636 3/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ NCF1 P14598 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADORA1 P30542 2/20 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
SCHEMBL18551673 0.96 DRD5 (0.50) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18550969 0.92 DRD5 (0.49) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18551278 0.91 DRD5 (0.57) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18550532 0.91 DRD5 (0.60) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541246 0.88 DRD5 (0.57) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18551674 0.86 DRD5 (0.61) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18539745 0.85 DRD5 (0.61) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18550876 0.83 DRD5 (0.61) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18551181 0.83 DRD5 (0.45) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18551435 0.82 DRD5 (0.49) 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-2017028927-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 — — WO disclosed
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