SCHEMBL5841350

SCHEMBL5841350

CC(=O)[C@@H](Cc1ccc(O)cc1)C(=O)N(N)CC1OCCc2c1sc(N)c2C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.34

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
SCHEMBL5841058 0.78 CTSS (0.41) ADORA1
SCHEMBL5838595 0.78 CTSS (0.41) ADORA1
SCHEMBL5841346 0.73 CXCR2 (0.30)
SCHEMBL5838672 0.73 ADORA1 (0.38) ADORA1
SCHEMBL5838350 0.73 ADORA1 (0.38) ADORA1
SCHEMBL6317021 0.71 ADORA1 (0.35) ADORA1
SCHEMBL6317018 0.69 GRM6 (0.35) ADORA1
SCHEMBL5837074 0.69 ADORA1 (0.49) ADORA1
SCHEMBL5838074 0.68 GRM6 (0.39) ADORA1
SCHEMBL5842462 0.68 ADORA1 (0.36) ADORA1

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-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed