SCHEMBL31039959

SCHEMBL31039959

C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.45
▸ SLC6A2 P23975 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ MMP13 P45452 1/20 0.42

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
SCHEMBL31391114 0.92 SLC6A2 (0.36) MMESLC6A2OPRM1OPRD1
SCHEMBL21794915 0.91 MME (0.50) MME
SCHEMBL1666819 0.91 MME (0.50) MME
SCHEMBL1666817 0.91 MME (0.50) MME
SCHEMBL30746746 0.90 OPRD1 (0.49) MMESLC6A2OPRM1OPRD1
SCHEMBL31618959 0.90 ACE (0.51) MMEACECPA1ACE2
Water SCHEMBL29655496 0.90 MME (0.49) MME
SCHEMBL30402952 0.89 BACE1 (0.57) —
SCHEMBL29470189 0.89 OPRD1 (0.46) MMEACECPA1ACE2OPRM1
SCHEMBL29456530 0.88 OPRD1 (0.50) MMESLC6A2OPRM1OPRD1

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-116970080-B Anti-human MFAP5 monoclonal antibody and preparation method thereof, polynucleotide molecule, expression vector and host cell 优睿赛思(武汉)生物科技有限公司 2024-08-13 — — CN disclosed
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