SCHEMBL13565348

SCHEMBL13565348

Cc1cc(NCCCCCNS(=O)(=O)C(C)C)cc2c1C(C)CC2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.43
NPY5R Q15761 8/20 0.39
HTR1A P08908 1/20 0.32
CNR2 P34972 1/20 0.30

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
SCHEMBL13565345 0.85 CNR2 (0.34) CNR2
SCHEMBL10115416 0.84 ALDH1A1 (0.39) GRIA1HTR1A
SCHEMBL17090280 0.83 GRIA1 (0.42) GRIA1NPY5RHTR1A
SCHEMBL11935661 0.81 STK17A (0.33)
SCHEMBL13564953 0.80 NPY5R (0.43) GRIA1NPY5RHTR1ACNR2
SCHEMBL13565271 0.76 NPY5R (0.35) NPY5R
SCHEMBL13565632 0.73 GRIA1 (0.41) GRIA1NPY5RHTR1A
SCHEMBL11935306 0.72 NPY5R (0.54) GRIA1NPY5R
SCHEMBL13565328 0.72 GRIA1 (0.59) GRIA1NPY5RHTR1A
SCHEMBL11935813 0.71 GRIA1 (0.46) GRIA1NPY5RHTR1ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed