SCHEMBL29759331

SCHEMBL29759331

COC(=O)CN(C)C(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCc2ccccc2)C(=O)N2CCCC2)nn1CC(C)C

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 20/20 0.64

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
SCHEMBL21229218 0.93 APLNR (0.70) APLNR
SCHEMBL17326709 0.93 APLNR (0.70) APLNR
SCHEMBL21468321 0.92 APLNR (0.55) APLNR
SCHEMBL21229169 0.92 APLNR (0.74) APLNR
SCHEMBL17326740 0.92 APLNR (0.74) APLNR
SCHEMBL17326689 0.87 APLNR (0.63) APLNR
SCHEMBL17326714 0.86 APLNR (0.62) APLNR
SCHEMBL17326685 0.85 APLNR (0.65) APLNR
SCHEMBL17326744 0.84 APLNR (0.63) APLNR
SCHEMBL17326752 0.84 APLNR (0.70) 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-4021447-A1 METHODS AND USES FOR APELIN RECEPTOR AGONISTS Research Triangle Institute (US) 2022-07-06 — — EP claimed
EP-4021447-A1 METHODS AND USES FOR APELIN RECEPTOR AGONISTS Research Triangle Institute (US) 2022-07-06 — — EP disclosed
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