SCHEMBL3662886

SCHEMBL3662886

NC(=O)c1cc(C(C2CCCNCC2)C2CCCNCC2)c2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.41
KDM2B Q8NHM5 6/20 0.39
AKT1 P31749 2/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 2/20 0.37
METAP2 P50579 2/20 0.36
ACP1 P24666 1/20 0.36
METAP1 P53582 1/20 0.36
CDK2 P24941 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3432643 0.76 OPRD1 (0.45) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL19297230 0.74 IKBKB (0.49) SLC6A4
SCHEMBL30735623 0.74 IKBKB (0.49) SLC6A4
SCHEMBL19284588 0.70 IKBKB (0.46) SLC6A4
SCHEMBL30735595 0.70 IKBKB (0.46) SLC6A4
Hydrochloric Acid SCHEMBL19284589 0.69 IKBKB (0.45) SLC6A4
SCHEMBL4578803 0.66 ALDH1A1 (0.68) ALDH1A1MAPTHPGD
SCHEMBL27766656 0.65 ALDH1A1 (0.66) ALDH1A1MAPTHPGD
SCHEMBL6153801 0.63 OPRD1 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL11363222 0.63 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3METAP2METAP1

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