SCHEMBL13565472

SCHEMBL13565472

Cc1cc(NCC2CCC(NS(=O)(=O)C(C)C)CC2)cc2ccsc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 7/20 0.35
▸ NPY5R Q15761 8/20 0.35
▸ SYK P43405 1/20 0.35
▸ LMNA P02545 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
SCHEMBL17090433 0.87 HTR2A (0.39) NPY5RSYKLMNA
SCHEMBL11935142 0.83 GRIA2 (0.36) GRIA2NPY5R
SCHEMBL13565316 0.83 GRIA2 (0.36) GRIA2NPY5R
SCHEMBL17090026 0.83 GRIA2 (0.36) GRIA2NPY5R
SCHEMBL17090401 0.83 GRIA2 (0.36) GRIA2NPY5R
SCHEMBL14627694 0.80 MEN1 (0.40) GRIA2LMNA
SCHEMBL10114907 0.80 MEN1 (0.40) GRIA2LMNA
SCHEMBL17090028 0.80 BRD4 (0.34) GRIA2NPY5R
SCHEMBL13565604 0.80 BRD4 (0.34) GRIA2NPY5R
SCHEMBL13439186 0.79 SYK (0.41) SYKLMNA

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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