SCHEMBL13565018

SCHEMBL13565018

CC(C)S(=O)(=O)NCCCCCNc1cccc(OCC=O)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.43
NPY5R Q15761 7/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
F2 P00734 3/20 0.34

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
SCHEMBL13565780 0.87 GRIA1 (0.46) GRIA1NPY5RMTNR1AMTNR1BHTR1A
SCHEMBL13565786 0.85 THRB (0.46) GRIA1NPY5RF2
SCHEMBL13565788 0.85 GRIA1 (0.44) GRIA1NPY5RMTNR1AMTNR1BHTR1A
SCHEMBL13565422 0.84 MTNR1A (0.40) NPY5RMTNR1AMTNR1BDRD2DRD4
SCHEMBL12882395 0.84 ALDH1A1 (0.46) HTR1A
SCHEMBL17090498 0.83 PKM (0.47) GRIA1NPY5RMTNR1AMTNR1BHTR1A
SCHEMBL13565022 0.83 GRIA1 (0.42) GRIA1NPY5RMTNR1AMTNR1BHTR1A
SCHEMBL13564798 0.82 GRIA1 (0.46) GRIA1NPY5RMTNR1AMTNR1BHTR1A
SCHEMBL17090496 0.82 KMT2A (0.48) GRIA1NPY5RMTNR1AMTNR1BHTR1A
SCHEMBL11935831 0.82 DUT (0.42) GRIA1NPY5RMTNR1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed