SCHEMBL4586375

SCHEMBL4586375

COc1ccc(NC2CCN(CCC(C)N)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.52
ALDH1A1 P00352 3/20 0.47
GFER P55789 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
KCNH2 Q12809 1/20 0.45
CCR6 P51684 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4586464 1.00 PABPC1 (0.52) PABPC1ALDH1A1GFERCARM1PRMT6
SCHEMBL4585512 0.89 MAPT (0.57) PABPC1ALDH1A1CARM1PRMT6MAPT
SCHEMBL4586746 0.85 ALDH1A1 (0.46) ALDH1A1CARM1PRMT6SMN1; SMN2KMT2A
SCHEMBL4586269 0.84 CARM1 (0.47) PABPC1CARM1PRMT6SMN1; SMN2KMT2A
SCHEMBL4586330 0.81 CARM1 (0.44) CARM1PRMT6KCNH2
SCHEMBL31152659 0.77 POLB (0.65) PABPC1ALDH1A1GFERCCR6GAA
SCHEMBL4240045 0.77 ALDH1A1 (0.47) PABPC1ALDH1A1GFERCCR6GAA
SCHEMBL4236028 0.77 ALDH1A1 (0.47) PABPC1ALDH1A1GFERCCR6GAA
SCHEMBL5871773 0.75 KCNH2 (0.62) ALDH1A1KCNH2GAAHSD17B10MAPT
SCHEMBL7289534 0.74 KMT2A (0.70) ALDH1A1SMN1; SMN2SIGMAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1896023-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-03-12 EP disclosed
WO-2006138259-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed