SCHEMBL7979784

SCHEMBL7979784

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PRCP P42785 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
CCR5 P51681 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7982359 0.85 BCHE (0.41) SLC6A2SLC6A3ADRA1DADRA1AADRA1B
SCHEMBL7977969 0.85 SLC6A2 (0.36) SLC6A2SLC6A3CARM1PRMT6ADRA1D
SCHEMBL7977968 0.85 SLC6A2 (0.36) SLC6A2SLC6A3CARM1PRMT6ADRA1D
SCHEMBL7982357 0.85 BCHE (0.41) SLC6A2SLC6A3ADRA1DADRA1AADRA1B
SCHEMBL7976349 0.84 KCNA3 (0.42) SLC6A2SLC6A3
SCHEMBL7976352 0.84 KCNA3 (0.42) SLC6A2SLC6A3
SCHEMBL7982371 0.83 CA1 (0.42)
SCHEMBL7982369 0.83 CA1 (0.42)
SCHEMBL8196423 0.81 MEN1 (0.38) MGLLSLC6A2SLC6A3PRCPCARM1
SCHEMBL7982482 0.78 DRD2 (0.46)

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-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed