SCHEMBL20032722

SCHEMBL20032722

C=C(c1ccc2c(c1)n(CC)c(CNC(=O)c1nc(Cl)cnc1N)[n+]2CC)N(C)CCN(C)C

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 1/20 0.85
SCNN1A P37088 1/20 0.85
SCNN1B P51168 1/20 0.85
SCNN1G P51170 1/20 0.85
HRH3 Q9Y5N1 1/20 0.85
ATR Q13535 2/20 0.35
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GRM5 P41594 2/20 0.32
ACVR1 Q04771 1/20 0.32
PIK3CD O00329 2/20 0.32
ACSS2 Q9NR19 1/20 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
SCHEMBL20032721 0.93 DRD5 (0.73) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538918 0.93 DRD5 (0.98) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348260 0.90 DRD5 (0.78) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538902 0.89 DRD5 (0.81) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538914 0.88 DRD5 (0.90) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348262 0.88 DRD5 (0.89) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348265 0.87 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538924 0.86 DRD5 (0.76) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538913 0.85 DRD5 (0.85) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538919 0.84 DRD5 (0.78) 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
US-9938256-B2 Annelated benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-10 US disclosed