SCHEMBL4585512

SCHEMBL4585512

CCOc1ccc(NC2CCN(CC[C@@H](C)N)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
PABPC1 P11940 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
POLB P06746 2/20 0.40
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4586375 0.89 PABPC1 (0.52) MAPTPABPC1CARM1PRMT6ALDH1A1
SCHEMBL4586464 0.89 PABPC1 (0.52) MAPTPABPC1CARM1PRMT6ALDH1A1
SCHEMBL4586746 0.84 ALDH1A1 (0.46) CARM1PRMT6LMNAALDH1A1
SCHEMBL4586269 0.83 CARM1 (0.47) PABPC1CARM1PRMT6LMNACA12
SCHEMBL4586330 0.80 CARM1 (0.44) CARM1PRMT6CA12CA1CA2
SCHEMBL4238870 0.79 MAPT (0.56) MAPTLMNAALDH1A1POLB
SCHEMBL7356968 0.75 CACNA1B (0.47) CARM1PRMT6
SCHEMBL4238867 0.74 MAPT (0.62) MAPTNPSR1LMNATSHRALDH1A1
SCHEMBL3156163 0.73 NPC1 (0.62) MAPTLMNAALDH1A1CYP2D6
SCHEMBL4241972 0.73 MAPT (0.55) MAPTLMNAALDH1A1

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-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP 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