SCHEMBL3662882

SCHEMBL3662882

Cc1c(C2CCCCCN2)c(C(N)=O)c(C2CCCCCN2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.40
PARP2 Q9UGN5 2/20 0.36
SLC6A3 Q01959 6/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 4/20 0.35
CYP2C19 P33261 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
POLB P06746 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3663351 0.72 PARP1 (0.41) PARP1
SCHEMBL3432635 0.71 PARP1 (0.45) PARP1PARP2HTTPARP3
SCHEMBL4781388 0.71 PARP1 (0.54) PARP1PARP2PARP3
SCHEMBL2955892 0.69 PARP1 (0.54) PARP1PARP2PARP3
SCHEMBL27814421 0.67 PARP1 (0.55) PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL27637867 0.66 PARP1 (0.54) PARP1PARP2PARP3
SCHEMBL4767634 0.65 PARP1 (0.50) PARP1PARP2CYP2C19PARP3POLB
SCHEMBL29372456 0.65 MEN1 (0.39) CYP2C19KDM4EALDH1A1TSHRHTT
SCHEMBL17042189 0.65 MEN1 (0.39) CYP2C19KDM4EALDH1A1TSHRHTT
SCHEMBL4077456 0.65 CHRM5 (0.40) PARP1CDK5CDK5R1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257297-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Mimetica Pty Limited (AU) 2010-12-08 EP claimed
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 WO claimed
EP-2257297-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Mimetica Pty Limited (AU) 2010-12-08 EP disclosed
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed