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Sugi Predict / Compounds / SCHEMBL17090541

SCHEMBL17090541

SCHEMBL17090541

CC(C)S(=O)(=O)NCCCCCNc1ccc(F)cc1N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 7/20 0.42
▸ GRIA1 P42261 3/20 0.38
▸ KMO O15229 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ WDR5 P61964 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
SCHEMBL13564951 1.00 NPY5R (0.42) NPY5RGRIA1KMOBRD4HTR1A
SCHEMBL13564950 0.87 GRIA1 (0.39) NPY5RGRIA1BRD4HTR1ATRPV1
SCHEMBL17090546 0.86 NPY5R (0.35) NPY5RBRD4TRPV1ALDH1A1WDR5
SCHEMBL13565988 0.86 NPY5R (0.35) NPY5RBRD4TRPV1ALDH1A1WDR5
SCHEMBL10133748 0.86 HDAC3 (0.46) NPY5RHTR1AALDH1A1WDR5
SCHEMBL10115290 0.86 HDAC3 (0.46) NPY5RHTR1AALDH1A1WDR5
SCHEMBL13565977 0.85 GRIA1 (0.37) NPY5RGRIA1BRD4TRPV1
SCHEMBL17090277 0.85 GRIA1 (0.37) NPY5RGRIA1BRD4TRPV1
SCHEMBL11941199 0.84 BRD4 (0.41) NPY5RGRIA1BRD4HTR1ATRPV1
SCHEMBL11935740 0.84 BRD4 (0.41) NPY5RGRIA1BRD4HTR1ATRPV1

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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 — — US disclosed