SCHEMBL18541359

SCHEMBL18541359

CCn1c(CNC(=O)c2nc(CI)cnc2N)[n+](CC)c2ccc(C(=O)N3CCC(NC(=O)CN)CC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD5 P21918 1/20 0.53
▸ SCNN1A P37088 1/20 0.53
▸ SCNN1B P51168 1/20 0.53
▸ SCNN1G P51170 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53
▸ ATR Q13535 11/20 0.33
▸ BMPR1B O00238 2/20 0.33
▸ BMPR1A P36894 2/20 0.33
▸ ACVRL1 P37023 2/20 0.33
▸ ACVR1 Q04771 2/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ DHFR P00374 4/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL18541250 0.93 DRD5 (0.55) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538930 0.91 DRD5 (0.64) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541251 0.89 DRD5 (0.58) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541232 0.88 DRD5 (0.56) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538916 0.85 DRD5 (0.62) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538928 0.85 DRD5 (0.66) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538922 0.81 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18551181 0.81 DRD5 (0.45) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541299 0.81 DRD5 (0.48) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541246 0.80 DRD5 (0.57) 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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