SCHEMBL3819712

SCHEMBL3819712

CC(N)CCN1CCC(NCc2cscn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CARM1 Q86X55 5/20 0.36
PRMT6 Q96LA8 5/20 0.36
LTA4H P09960 1/20 0.36
HTR1A P08908 1/20 0.35
SCN9A Q15858 1/20 0.35
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
OPRD1 P41143 1/20 0.33
PRMT8 Q9NR22 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CCR2 P41597 1/20 0.32
PARP1 P09874 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL3759484 0.79 DPP4 (0.32) DRD2DRD4DRD3HTR1ASCN9A
SCHEMBL2413144 0.76 KDM4C (0.40) DRD2DRD4DRD3LTA4HHTR1A
SCHEMBL28958746 0.72 HRH3 (0.43) ACHE
SCHEMBL23560251 0.64 CARM1 (0.36) CARM1PRMT6OPRL1PRMT8PARP1
SCHEMBL4585512 0.63 MAPT (0.57) CARM1PRMT6
SCHEMBL4586269 0.63 CARM1 (0.47) CARM1PRMT6
SCHEMBL14561298 0.63
SCHEMBL13342875 0.63
SCHEMBL13342874 0.63
SCHEMBL20492779 0.63 CARM1 (0.68) CARM1PRMT6BCHEACHEBACE1

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
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO disclosed