SCHEMBL21748137

SCHEMBL21748137

CCOC(OCC)(c1ncc(C)cn1)[C@H](C)S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 7/20 0.49
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL21748138 0.73 APLNR (0.52) APLNR
SCHEMBL21328103 0.72 APLNR (0.47) APLNR
SCHEMBL21328182 0.72 APLNR (0.47) APLNR
SCHEMBL21328106 0.72 APLNR (0.47) APLNR
SCHEMBL21328105 0.72 APLNR (0.47) APLNR
SCHEMBL21328300 0.72 APLNR (0.47) APLNR
SCHEMBL21328246 0.72 APLNR (0.47) APLNR
SCHEMBL21328183 0.72 APLNR (0.47) APLNR
SCHEMBL20188595 0.72 APLNR (0.44) APLNRCA1CA2CA9POLB
SCHEMBL20188593 0.72 APLNR (0.44) APLNRCA1CA2CA9POLB

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