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SCHEMBL29580583

SCHEMBL29580583

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 6/20 0.56
▸ VIPR1 P32241 4/20 0.56
▸ F2 P00734 2/20 0.54
▸ NPY4R P50391 8/20 0.53
▸ NPY1R P25929 5/20 0.53
▸ NPY2R P49146 4/20 0.53
▸ NPY5R Q15761 4/20 0.53
▸ TFPI P10646 1/20 0.51

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
SCHEMBL29512422 0.92 NPY4R (0.61) VIPR2VIPR1NPY4RNPY1RNPY2R
SCHEMBL31031618 0.91 NPY4R (0.59) VIPR2NPY4RNPY1RNPY2RNPY5R
SCHEMBL31277042 0.90 VIPR2 (0.66) VIPR2VIPR1NPY4RNPY1RNPY2R
SCHEMBL30261907 0.90 NPY4R (0.58) VIPR2VIPR1F2NPY4RNPY1R
Thymopentin SCHEMBL7498758 0.90 NPY4R (0.62) VIPR2VIPR1NPY4RNPY1RNPY2R
Thymopentin SCHEMBL44001 0.90 NPY4R (0.62) VIPR2VIPR1NPY4RNPY1RNPY2R
SCHEMBL8813021 0.90 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL8815384 0.90 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5RTFPI
Thymopentin SCHEMBL989519 0.90 NPY4R (0.62) VIPR2VIPR1NPY4RNPY1RNPY2R
Thymopentin SCHEMBL29512397 0.90 NPY4R (0.62) VIPR2VIPR1NPY4RNPY1RNPY2R

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-114316042-A cTnI protein antigenic determinant polypeptide and application thereof 天津奇云诺德生物医学有限公司 2022-04-12 — — CN disclosed
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