SCHEMBL7102744

SCHEMBL7102744

CCOc1cnc2cc(Cl)ccc2c1NCCCCCN(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.50
CYP3A4 P08684 4/20 0.50
CYP1A2 P05177 3/20 0.50
CDK1 P06493 1/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
CACNA2D1 P54289 1/20 0.47
PRNP P04156 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
CHRM3 P20309 2/20 0.44
MTOR P42345 2/20 0.44
KCNH2 Q12809 2/20 0.44

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
SCHEMBL2520992 0.81 CDK1 (0.56) CYP2D6CYP3A4CYP1A2CDK1HSD17B10
SCHEMBL1147600 0.77 KDM4E (0.82) CYP2D6CYP1A2CDK1HSD17B10KDM4E
SCHEMBL1147663 0.77 KDM4E (0.82) CYP2D6CYP1A2CDK1HSD17B10KDM4E
SCHEMBL12210462 0.76 KDM4E (0.62) CYP2D6CYP3A4CYP1A2CDK1HSD17B10
SCHEMBL16261305 0.76 CDK1 (0.53) CYP2D6CYP3A4CYP1A2CDK1HSD17B10
SCHEMBL1147601 0.75 KDM4E (0.84) CYP2D6CYP1A2CDK1HSD17B10KDM4E
SCHEMBL15061283 0.75 USP2 (0.71) CYP2D6CYP3A4CYP1A2HSD17B10KDM4E
SCHEMBL15061237 0.75 USP2 (0.71) CYP2D6CYP3A4CYP1A2HSD17B10KDM4E
SCHEMBL1152794 0.75 USP2 (0.71) CYP2D6CYP3A4CYP1A2HSD17B10KDM4E
SCHEMBL1147537 0.75 CDK1 (0.80) CYP2D6CYP1A2CDK1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617619-B1 USE OF APP MODULATORS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF AMYLOIDOSIS UNIV ROCKEFELLER (US) 2003-09-10 EP claimed
EP-0617619-B1 USE OF APP MODULATORS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF AMYLOIDOSIS UNIV ROCKEFELLER (US) 2003-09-10 EP disclosed
EP-0617619-A1 USE OF APP MODULATORS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF AMYLOIDOSIS THE ROCKEFELLER UNIVERSITY (US) 1994-10-05 EP disclosed
US-5348963-A Method of screening for modulators of amyloid formation THE ROCKEFELLER UNIVERSITY (US) 1994-09-20 US disclosed
US-5242932-A TREATMENT OF AMYLOIDOSIS ASSOCIATED WITH ALZHEIMER DISEASE THE ROCKEFELLER UNIVERSITY (US) 1993-09-07 US disclosed
WO-1993011762-A1 USE OF APP MODULATORS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF AMYLOIDOSIS THE ROCKEFELLER UNIVERSITY (US) 1993-06-24 WO disclosed