SCHEMBL17090202

SCHEMBL17090202

CC(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2cccc(N3CCCS3(=O)=O)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.47
TP53 P04637 9/20 0.41
MAPT P10636 1/20 0.38
CTSD P07339 2/20 0.36
BACE1 P56817 2/20 0.36
POLB P06746 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL13565580 1.00 GRIA2 (0.47) GRIA2TP53MAPTCTSDBACE1
SCHEMBL17090199 0.88 GRIA2 (0.43) GRIA2TP53MAPT
SCHEMBL13565582 0.88 GRIA2 (0.43) GRIA2TP53MAPT
SCHEMBL13439061 0.87 TP53 (0.41) GRIA2TP53MAPTPOLBSMN1; SMN2
SCHEMBL11935338 0.87 TP53 (0.41) GRIA2TP53MAPTPOLBSMN1; SMN2
SCHEMBL11936249 0.86 GRIA2 (0.40) GRIA2TP53CTSDBACE1BACE2
SCHEMBL11936244 0.83 GRIA2 (0.42) GRIA2
SCHEMBL10114961 0.83 TP53 (0.49) GRIA2TP53MAPTPOLBSMN1; SMN2
SCHEMBL13204444 0.83 TP53 (0.49) GRIA2TP53MAPTPOLBSMN1; SMN2
SCHEMBL11936250 0.82 GRIA2 (0.41) GRIA2TP53

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