SCHEMBL8187458

SCHEMBL8187458

N#CN=C(NCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
DRD3 P35462 7/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL8195618 0.97 DRD2 (0.50) DRD2DRD3P2RX7
SCHEMBL8195133 0.94 CA1 (0.48) DRD2DRD3MEN1KMT2AP2RX7
SCHEMBL8195536 0.83 MEN1 (0.40) DRD2MEN1KMT2ACA1CA2
SCHEMBL7982483 0.81 DRD2 (0.46) DRD2DRD3P2RX7
SCHEMBL7982482 0.81 DRD2 (0.46) DRD2DRD3P2RX7
SCHEMBL2552769 0.79 SIGMAR1 (0.47) DRD2DRD3MEN1KMT2A
SCHEMBL2552771 0.79 SIGMAR1 (0.47) DRD2DRD3MEN1KMT2A
SCHEMBL25642148 0.79 SIGMAR1 (0.46) DRD2DRD3MEN1KMT2A
SCHEMBL2550291 0.79 SIGMAR1 (0.46) DRD2DRD3MEN1KMT2A
SCHEMBL2550296 0.79 SIGMAR1 (0.46) DRD2DRD3MEN1KMT2A

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
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO claimed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO disclosed