SCHEMBL17612866

SCHEMBL17612866

Nc1ccc(N2CC[C@@H](C(=O)O)C2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.61
KEAP1 Q14145 6/20 0.53
NFE2L2 Q16236 1/20 0.53

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
SCHEMBL17599441 1.00 NOTUM (0.61) NOTUMKEAP1NFE2L2
SCHEMBL24811432 1.00 NOTUM (0.61) NOTUMKEAP1NFE2L2
SCHEMBL17612867 0.81 LGMN (0.57)
SCHEMBL17612877 0.80 KEAP1 (0.67) NOTUMKEAP1NFE2L2
SCHEMBL17599443 0.79 CTSB (0.59) NOTUMKEAP1NFE2L2
SCHEMBL17599487 0.79 CTSB (0.59) NOTUMKEAP1NFE2L2
SCHEMBL1749472 0.78 RPS6KB1 (0.48) NOTUMKEAP1NFE2L2
SCHEMBL1749473 0.78 OPRM1 (0.40) NOTUMKEAP1NFE2L2
SCHEMBL4769598 0.75 S1PR5 (0.53) NOTUM
SCHEMBL4662970 0.75 S1PR5 (0.53) NOTUM

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
EP-2997966-A1 Naphthyl Sulfonamide Pyrrolidine Derivatives as KEAP-1 Modulators for the Treatment of Diabetes, Obesity, Dyslipidemia and Related Disorders SANOFI (FR) 2016-03-23 EP disclosed