SCHEMBL31556395

SCHEMBL31556395

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.53
▸ MME P08473 1/20 0.53
▸ CPA1 P15085 1/20 0.53
▸ ACE2 Q9BYF1 1/20 0.53
▸ BACE1 P56817 1/20 0.50
▸ NTSR2 O95665 4/20 0.49
▸ NTSR1 P30989 4/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ FNTA P49354 2/20 0.47
▸ FNTB P49356 2/20 0.47
▸ SORT1 Q99523 1/20 0.47
▸ KISS1R Q969F8 2/20 0.46

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
SCHEMBL30546676 0.95 BACE1 (0.51) ACEMMECPA1ACE2BACE1
SCHEMBL31278149 0.94 ACE (0.53) ACEMMECPA1ACE2BACE1
SCHEMBL29630541 0.94 BACE1 (0.56) ACEMMECPA1ACE2BACE1
SCHEMBL14060524 0.93 BACE1 (0.52) ACEMMECPA1ACE2BACE1
SCHEMBL30565310 0.90 BACE1 (0.51) ACEMMECPA1ACE2BACE1
SCHEMBL29880362 0.89 KISS1R (0.53) ACEBACE1NPY1RNPY2RNPY4R
SCHEMBL29624265 0.88 KISS1R (0.52) ACEMMECPA1ACE2BACE1
SCHEMBL31643187 0.87 NAALAD2 (0.55) ACEMMECPA1ACE2BACE1
SCHEMBL31688175 0.87 ACE (0.53) ACEMMECPA1ACE2BACE1
SCHEMBL30865069 0.86 KISS1R (0.54) BACE1NTSR2NTSR1NPY1RNPY2R

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-2025068188-A1 STIMULATION OF PLANT GERMINATION LETAVIS AB (SE) 2025-04-03 — — WO disclosed
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