SCHEMBL30117286

SCHEMBL30117286

COc1cc2ncnc(N3CCCC(CCNS(N)(=O)=O)CC3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 20/20 1.00

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
SCHEMBL23727320 1.00 ENPP1 (1.00) ENPP1
SCHEMBL20782729 0.96 ENPP1 (1.00) ENPP1
SCHEMBL22455353 0.92 ENPP1 (0.91) ENPP1
SCHEMBL23762245 0.90 ENPP1 (1.00) ENPP1
SCHEMBL22441568 0.90 ENPP1 (0.88) ENPP1
SCHEMBL20782509 0.90 ENPP1 (0.88) ENPP1
SCHEMBL22455005 0.90 ENPP1 (0.87) ENPP1
SCHEMBL25682595 0.90 ENPP1 (0.87) ENPP1
SCHEMBL25682479 0.90 ENPP1 (0.87) ENPP1
SCHEMBL22441422 0.89 ENPP1 (0.86) ENPP1

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-4100394-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. (US) 2022-12-14 EP disclosed