SCHEMBL29630541

SCHEMBL29630541

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.56
▸ ACE P12821 2/20 0.53
▸ MME P08473 1/20 0.53
▸ CPA1 P15085 1/20 0.53
▸ ACE2 Q9BYF1 1/20 0.53
▸ NTSR2 O95665 7/20 0.52
▸ NTSR1 P30989 7/20 0.52
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ SORT1 Q99523 4/20 0.48
▸ KISS1R Q969F8 2/20 0.48
▸ BACE2 Q9Y5Z0 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
SCHEMBL31556395 0.94 ACE (0.53) BACE1ACEMMECPA1ACE2
SCHEMBL31643187 0.93 NAALAD2 (0.55) BACE1ACEMMECPA1ACE2
SCHEMBL31688175 0.93 ACE (0.53) BACE1ACEMMECPA1ACE2
SCHEMBL30565310 0.93 BACE1 (0.51) BACE1ACEMMECPA1ACE2
SCHEMBL30609017 0.91 BACE1 (0.56) BACE1ACEMMECPA1ACE2
SCHEMBL31199028 0.90 ACE (0.52) BACE1ACEMMECPA1ACE2
SCHEMBL30546676 0.89 BACE1 (0.51) BACE1ACEMMECPA1ACE2
SCHEMBL29469220 0.88 BACE1 (0.60) BACE1KISS1RBACE2
SCHEMBL31020746 0.87 BACE1 (0.59) BACE1ACEMMECPA1ACE2
SCHEMBL14060524 0.87 BACE1 (0.52) BACE1ACEMMECPA1ACE2

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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