SCHEMBL17090535

SCHEMBL17090535

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc3c(c2)CC(F)C3)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 20/20 0.44
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL13565168 1.00 GRIA2 (0.44) GRIA2CYP2C19CYP1A2
SCHEMBL11936151 0.85 NPY5R (0.41) GRIA2CYP2C19CYP1A2
SCHEMBL11935136 0.85 NPY5R (0.41) GRIA2CYP2C19CYP1A2
SCHEMBL11935447 0.82 GRIA4 (0.46) GRIA2
SCHEMBL11936153 0.82 GRIA4 (0.46) GRIA2
SCHEMBL13565124 0.81 GRIA2 (0.39) GRIA2CYP1A2
SCHEMBL17090049 0.81 GRIA2 (0.42) GRIA2
SCHEMBL11935089 0.81 GRIA2 (0.42) GRIA2
SCHEMBL17090415 0.81 MAPT (0.40) GRIA2
SCHEMBL13564894 0.81 MAPT (0.40) GRIA2

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