SCHEMBL29802495

SCHEMBL29802495

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.67
FOLH1 Q04609 1/20 0.62
NPY1R P25929 1/20 0.62
NPY2R P49146 1/20 0.62
NPY4R P50391 1/20 0.62
MME P08473 2/20 0.58
OPRD1 P41143 4/20 0.57
OPRM1 P35372 3/20 0.57
CPA1 P15085 1/20 0.57
ACE2 Q9BYF1 1/20 0.57
OPRK1 P41145 1/20 0.56

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
SCHEMBL30792483 1.00 ACE (0.67) ACEFOLH1NPY1RNPY2RNPY4R
SCHEMBL29822758 0.96 FOLH1 (0.66) ACEFOLH1NPY1RNPY2RNPY4R
SCHEMBL30123084 0.96 ACE (0.62) ACEFOLH1NPY1RNPY2RNPY4R
SCHEMBL30051537 0.94 LTA4H (0.61) ACEMMECPA1ACE2
SCHEMBL31067318 0.94 FOLH1 (0.69) ACEFOLH1NPY1RNPY2RNPY4R
SCHEMBL2474675 0.94 FOLH1 (0.69) ACEFOLH1NPY1RNPY2RNPY4R
SCHEMBL11056714 0.94 FOLH1 (0.69) ACEFOLH1NPY1RNPY2RNPY4R
SCHEMBL29734944 0.93 FOLH1 (0.68) ACEFOLH1NPY1RNPY2RNPY4R
SCHEMBL29350874 0.93 FOLH1 (0.68) ACEFOLH1NPY1RNPY2RNPY4R
Hydrochloric Acid SCHEMBL6473764 0.93 FOLH1 (0.67) ACEFOLH1NPY1RNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022190064-A1 METHODS FOR IDENTIFYING SUBJECTS WITH BETACORONAVIRUS INFECTIONS WHO ARE AT RISK OF ACUTE RESPIRATORY SYNDROME AND METHODS FOR THE TREATMENT OF SAME VEXO PHARMACEUTICALS DMCC (AE) 2022-09-15 WO disclosed