SCHEMBL29939669

SCHEMBL29939669

CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.58
▸ CCKBR P32239 3/20 0.53
▸ CCKAR P32238 1/20 0.53
▸ IL23R Q5VWK5 5/20 0.50
▸ GRPR P30550 1/20 0.49
▸ MAGI3 Q5TCQ9 1/20 0.49
▸ FNTA P49354 4/20 0.49
▸ FNTB P49356 4/20 0.49
▸ ACE P12821 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
SCHEMBL30265201 0.90 PRMT1 (0.53) PRMT1CCKBRCCKARIL23RGRPR
SCHEMBL30342394 0.90 MAGI3 (0.54) PRMT1CCKBRCCKARIL23RMAGI3
SCHEMBL31247979 0.87 CCKBR (0.53) PRMT1CCKBRIL23RGRPRMAGI3
SCHEMBL30810352 0.87 PRMT1 (0.57) PRMT1CCKBRCCKARGRPR
SCHEMBL31018602 0.86 MAGI3 (0.56) PRMT1CCKBRIL23RGRPRMAGI3
SCHEMBL30692610 0.85 IL23R (0.59) CCKBRCCKARIL23RGRPR
SCHEMBL31683350 0.84 CCKBR (0.65) CCKBRIL23R
SCHEMBL29379665 0.83 CTSC (0.61) MAGI3ACE
SCHEMBL31442335 0.83 MAGI3 (0.56) PRMT1CCKBRCCKARIL23RMAGI3
SCHEMBL29470182 0.82 ACE (0.57) MAGI3ACE

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-115066254-A Human anti-inflammatory peptides for inhalation treatment of inflammatory lung diseases 阿德维塔生命科学有限责任公司 2022-09-16 — — CN disclosed
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