SCHEMBL14528347

SCHEMBL14528347

CS(=O)(=O)NC[C@H]1CC[C@@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 19/20 1.00
▸ ADRB2 P07550 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ HTR1A P08908 1/20 1.00
▸ HTR1D P28221 1/20 1.00
▸ DRD3 P35462 1/20 1.00
▸ HTR2B P41595 1/20 1.00
▸ HTR5A P47898 1/20 1.00
▸ TMEM97 Q5BJF2 1/20 1.00

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
SCHEMBL29702219 1.00 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL5127692 1.00 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL175710 1.00 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL14528345 0.92 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL14276543 0.92 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL5124599 0.92 NPY5R (1.00) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL5382521 0.88 NPY5R (0.81) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL14408821 0.88 NPY5R (0.81) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL14276589 0.88 NPY5R (0.83) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL5130637 0.88 NPY5R (0.83) NPY5RADRB2CYP3A4HTR1AHTR1D

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
EP-1183245-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2007-05-09 — — EP disclosed
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