SCHEMBL18541248

SCHEMBL18541248

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD5 P21918 1/20 0.64
▸ SCNN1A P37088 1/20 0.64
▸ SCNN1B P51168 1/20 0.64
▸ SCNN1G P51170 1/20 0.64
▸ HRH3 Q9Y5N1 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.36
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ MC4R P32245 2/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL18541234 0.94 DRD5 (0.60) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538919 0.90 DRD5 (0.78) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541249 0.89 DRD5 (0.73) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541360 0.89 DRD5 (0.81) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538920 0.88 DRD5 (0.75) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541253 0.87 DRD5 (0.70) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541357 0.87 DRD5 (0.74) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541246 0.87 DRD5 (0.57) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541313 0.86 DRD5 (0.68) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538897 0.85 DRD5 (0.72) 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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