SCHEMBL20207593

SCHEMBL20207593

COc1ccccc1-n1c(NSCc2ccc(Cl)cc2)nnc1-c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APLNR P35414 19/20 0.67
PTGS2 P35354 1/20 0.48

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
SCHEMBL22537211 0.91 APLNR (0.70) APLNR
SCHEMBL20207585 0.85 APLNR (0.68) APLNRPTGS2
SCHEMBL20207252 0.83 APLNR (0.69) APLNR
SCHEMBL17294948 0.83 PTGS2 (0.66) APLNRPTGS2
SCHEMBL20207351 0.83 PTGS2 (0.48) APLNRPTGS2
SCHEMBL20207348 0.82 APLNR (0.69) APLNR
SCHEMBL20189255 0.81 APLNR (0.84) APLNR
SCHEMBL20207350 0.81 APLNR (0.65) APLNR
SCHEMBL20207275 0.80 APLNR (0.64) APLNR
SCHEMBL22537233 0.80 APLNR (0.57) APLNR

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-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed