SCHEMBL13565604

SCHEMBL13565604

Cc1c(NCC2CCC(NS(=O)(=O)C(C)C)CC2)ccc2ccsc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ NPY5R Q15761 9/20 0.34
▸ GRIA2 P42262 4/20 0.34
▸ PTGER4 P35408 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
SCHEMBL17090028 1.00 BRD4 (0.34) BRD4NPY5RGRIA2PTGER4
SCHEMBL13565472 0.80 GRIA2 (0.35) NPY5RGRIA2
SCHEMBL10114902 0.80 ABL1 (0.39) BRD4GRIA2
SCHEMBL14424374 0.80 ABL1 (0.39) BRD4GRIA2
SCHEMBL11935443 0.78 PTGER4 (0.39) PTGER4
SCHEMBL13439175 0.78 PTGER4 (0.39) PTGER4
SCHEMBL17090026 0.77 GRIA2 (0.36) NPY5RGRIA2
SCHEMBL13565316 0.77 GRIA2 (0.36) NPY5RGRIA2
SCHEMBL17090190 0.77 PTGER4 (0.35) BRD4NPY5RGRIA2PTGER4
SCHEMBL13565307 0.77 PTGER4 (0.35) BRD4NPY5RGRIA2PTGER4

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
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