SCHEMBL17090229

SCHEMBL17090229

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(F)cc2N2C[C@@H](C)O[C@@H](C)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.43
GRIA2 P42262 5/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
BRD4 O60885 1/20 0.33
GRIA4 P48058 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
SCHEMBL13564888 1.00 NPY5R (0.43) NPY5RGRIA2CNR1CNR2BRD4
SCHEMBL13565620 0.88 CNR1 (0.36) NPY5RCNR1CNR2
SCHEMBL17090175 0.88 CNR1 (0.36) NPY5RCNR1CNR2
SCHEMBL13565905 0.88 NPY5R (0.37) NPY5R
SCHEMBL17090240 0.88 NPY5R (0.37) NPY5R
SCHEMBL17090396 0.86 NPY5R (0.36) NPY5R
SCHEMBL13565928 0.86 NPY5R (0.36) NPY5R
SCHEMBL17090158 0.85 NPY5R (0.35) NPY5RBRD4
SCHEMBL13565437 0.85 NPY5R (0.35) NPY5RBRD4
SCHEMBL13564881 0.85 LRRK2 (0.37) NPY5RGRIA2

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