SCHEMBL7982371

SCHEMBL7982371

N#CNC(=Nc1ccncc1)NCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
LMNA P02545 1/20 0.41
P2RX7 Q99572 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7982369 1.00 CA1 (0.42) CA1CA2DRD2DRD3LMNA
SCHEMBL7982482 0.94 DRD2 (0.46) DRD2DRD3P2RX7
SCHEMBL7982483 0.94 DRD2 (0.46) DRD2DRD3P2RX7
SCHEMBL8195613 0.93 DRD2 (0.50) DRD2DRD3P2RX7
SCHEMBL8195616 0.93 DRD2 (0.50) DRD2DRD3P2RX7
SCHEMBL7979784 0.83 MGLL (0.37)
SCHEMBL7976352 0.82 KCNA3 (0.42)
SCHEMBL7976349 0.82 KCNA3 (0.42)
SCHEMBL7982357 0.82 BCHE (0.41) DRD2DRD3LMNA
SCHEMBL7982359 0.82 BCHE (0.41) DRD2DRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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