SCHEMBL31278149

SCHEMBL31278149

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(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.53
▸ MME P08473 1/20 0.53
▸ CPA1 P15085 1/20 0.53
▸ ACE2 Q9BYF1 1/20 0.53
▸ NAALAD2 Q9Y3Q0 1/20 0.52
▸ ENPEP Q07075 5/20 0.49
▸ NTSR2 O95665 2/20 0.49
▸ NTSR1 P30989 2/20 0.49
▸ BACE1 P56817 3/20 0.49
▸ BACE2 Q9Y5Z0 1/20 0.48
▸ FNTA P49354 2/20 0.48
▸ FNTB P49356 2/20 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) ACEMMECPA1ACE2NTSR2
SCHEMBL31643187 0.93 NAALAD2 (0.55) ACEMMECPA1ACE2NAALAD2
SCHEMBL29972923 0.91 NAALAD2 (0.53) ACEMMECPA1ACE2NAALAD2
SCHEMBL14060524 0.89 BACE1 (0.52) ACEMMECPA1ACE2NTSR2
SCHEMBL30546676 0.89 BACE1 (0.51) ACEMMECPA1ACE2NTSR2
SCHEMBL30445408 0.88 BACE1 (0.56) MMENAALAD2BACE1BACE2FNTA
SCHEMBL29630541 0.87 BACE1 (0.56) ACEMMECPA1ACE2NTSR2
SCHEMBL30445027 0.87 NAALAD2 (0.54) ACEMMECPA1ACE2NAALAD2
SCHEMBL29611893 0.86 NTSR1 (0.61) ACEMMECPA1ACE2NAALAD2
SCHEMBL30932060 0.86 KISS1R (0.55) NAALAD2BACE1BACE2

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
CN-109745544-B Stable oxytocin pharmaceutical composition and preparation method thereof 南京新百药业有限公司 2024-11-08 — — CN disclosed
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