SCHEMBL7976352

SCHEMBL7976352

N#CNC(=Nc1ccncc1)NCCN1CCC(COC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 1/20 0.36

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
SCHEMBL7976349 1.00 KCNA3 (0.42) KCNA3SLC6A2SLC6A3SLC6A4
SCHEMBL7982357 0.88 BCHE (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL7982359 0.88 BCHE (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL7979784 0.84 MGLL (0.37) SLC6A2SLC6A3
SCHEMBL8195700 0.82 KCNA3 (0.42) KCNA3SLC6A2SLC6A3
SCHEMBL7982371 0.82 CA1 (0.42)
SCHEMBL7982369 0.82 CA1 (0.42)
SCHEMBL7977969 0.82 SLC6A2 (0.36) SLC6A2SLC6A3
SCHEMBL7977968 0.82 SLC6A2 (0.36) SLC6A2SLC6A3
SCHEMBL7979656 0.77 HTR1A (0.42) SLC6A2SLC6A3SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO claimed
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO disclosed