SCHEMBL13565166

SCHEMBL13565166

Cc1c(NCCCCCNS(=O)(=O)C(C)C)ccc(N2CC(C)O[C@H](C)C2)c1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.40
NPY5R Q15761 8/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
BRD4 O60885 4/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL13564973 1.00 GRIA1 (0.40) GRIA1NPY5RKDM4ELMNABRD4
SCHEMBL17090058 1.00 GRIA1 (0.40) GRIA1NPY5RKDM4ELMNABRD4
SCHEMBL17090277 0.91 GRIA1 (0.37) GRIA1NPY5RKDM4ELMNABRD4
SCHEMBL13565977 0.91 GRIA1 (0.37) GRIA1NPY5RKDM4ELMNABRD4
SCHEMBL13564950 0.87 GRIA1 (0.39) GRIA1NPY5RKDM4ELMNABRD4
SCHEMBL17090285 0.86 GRIA1 (0.36) GRIA1NPY5R
SCHEMBL13565798 0.86 GRIA1 (0.36) GRIA1NPY5R
SCHEMBL11935630 0.85 NPY5R (0.35) NPY5RKDM4ELMNABRD4
SCHEMBL11941032 0.85 NPY5R (0.35) NPY5RKDM4ELMNABRD4
SCHEMBL10115309 0.85 KMT2A (0.40) GRIA1KDM4ELMNAHTR1A

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