SCHEMBL13565124

SCHEMBL13565124

CC1Cc2cc(NCC3CCC(NS(=O)(=O)C(C)C)CC3)ccc2C1C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 20/20 0.39
CYP1A2 P05177 1/20 0.35

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
SCHEMBL17090179 0.82 GRIA2 (0.36) GRIA2CYP1A2
SCHEMBL11935471 0.81 GRIA2 (0.37) GRIA2
SCHEMBL17090535 0.81 GRIA2 (0.44) GRIA2CYP1A2
SCHEMBL13439209 0.81 GRIA2 (0.37) GRIA2
SCHEMBL13565168 0.81 GRIA2 (0.44) GRIA2CYP1A2
SCHEMBL11936151 0.80 NPY5R (0.41) GRIA2CYP1A2
SCHEMBL11935136 0.80 NPY5R (0.41) GRIA2CYP1A2
SCHEMBL14424633 0.80 GRIA2 (0.48) GRIA2
SCHEMBL10114900 0.80 GRIA2 (0.48) GRIA2
SCHEMBL13439204 0.78 PRKCQ (0.35)

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