SCHEMBL4586847

SCHEMBL4586847

Clc1cccc(CNC2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.56
PRMT6 Q96LA8 2/20 0.56
CCNT1 O60563 1/20 0.49
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTR6 P50406 3/20 0.45
CHRM2 P08172 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.44
SLC6A4 P31645 3/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
SLC6A2 P23975 2/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.43
BCHE P06276 1/20 0.43
KMT2A Q03164 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
SCHEMBL5178850 0.91 CHRM1 (0.52) CARM1PRMT6CCNT1CHRM1CHRM3
SCHEMBL64031 0.89 CARM1 (0.63) CARM1PRMT6MAPTALOX12ALDH1A1
Hydrochloric Acid SCHEMBL21879607 0.87 CARM1 (0.62) CARM1PRMT6MAPTALOX12ALDH1A1
SCHEMBL9667976 0.85 POLB (0.62) CARM1PRMT6MAPTALOX12ALDH1A1
SCHEMBL29577342 0.81 CARM1 (0.56) CARM1PRMT6CCNT1MAPTALOX12
SCHEMBL375076 0.81 CARM1 (0.56) CARM1PRMT6MAPTALOX12ALDH1A1
SCHEMBL22725140 0.81 GRIN2B (0.50) CARM1PRMT6CHRM3ALDH1A1POLB
SCHEMBL12817956 0.81 CARM1 (0.56) CARM1PRMT6ALDH1A1HTR6POLB
SCHEMBL3359770 0.80 POLB (0.69) ALOX12POLBACHEBACE1MEN1
SCHEMBL5179993 0.80 CARM1 (0.57) CARM1PRMT6ALDH1A1SLC6A4ACHE

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