SCHEMBL21767033

SCHEMBL21767033

CCO[C@@H](N)[C@H](C)S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.45
CA2 P00918 5/20 0.37
CA1 P00915 4/20 0.37
LMNA P02545 1/20 0.36
CA9 Q16790 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL21767034 1.00 APLNR (0.45) APLNRCA2CA1LMNACA9
SCHEMBL18254244 0.79 APLNR (0.46) APLNRCA2CA1LMNACA9
SCHEMBL18254253 0.79 APLNR (0.46) APLNRCA2CA1LMNACA9
SCHEMBL18254245 0.79 APLNR (0.46) APLNRCA2CA1LMNACA9
SCHEMBL18474669 0.76 APLNR (0.44) APLNRCA2CA1LMNACA9
SCHEMBL18474670 0.76 APLNR (0.44) APLNRCA2CA1LMNACA9
SCHEMBL18254622 0.76 APLNR (0.44) APLNRCA2CA1LMNACA9
SCHEMBL21767039 0.73 APLNR (0.42) APLNRCA2CA1CA9
SCHEMBL21766996 0.73 APLNR (0.42) APLNRCA2CA1CA9
SCHEMBL21708252 0.73

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed