SCHEMBL22690106

SCHEMBL22690106

N[C@@H](O)CCc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.56
ENPEP Q07075 2/20 0.56
FOLH1 Q04609 8/20 0.54
EPHX1 P07099 1/20 0.46
GRM2 Q14416 1/20 0.46
GRM3 Q14832 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL25355590 0.85 ANPEP (0.55) ANPEPENPEPFOLH1
SCHEMBL25355588 0.85 ANPEP (0.55) ANPEPENPEPFOLH1
SCHEMBL16620907 0.85 ANPEP (0.55) ANPEPENPEPFOLH1
SCHEMBL371526 0.82 FOLH1 (0.70) ANPEPENPEPFOLH1CYP2D6CYP2C9
SCHEMBL28839142 0.81 ANPEP (0.51) ANPEPENPEPFOLH1CYP2D6CYP2C9
SCHEMBL848969 0.81 FOLH1 (0.56) ANPEPENPEPFOLH1
SCHEMBL27698939 0.81 FOLH1 (0.51) ANPEPENPEPFOLH1
SCHEMBL6277023 0.81 FOLH1 (0.57) ANPEPENPEPFOLH1
SCHEMBL4396931 0.81 FOLH1 (0.51) ANPEPENPEPFOLH1
SCHEMBL9116167 0.80 ANPEP (0.52) ANPEPENPEPFOLH1EPHX1

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-3972589-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
WO-2020236690-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed