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SCHEMBL31295893

SCHEMBL31295893

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.58
▸ NMUR1 Q9HB89 5/20 0.58
▸ RAMP3 O60896 12/20 0.53
▸ CALCR P30988 12/20 0.53
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 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
SCHEMBL31295894 0.91 NMUR2 (0.60) NMUR2NMUR1RAMP3CALCROPRM1
SCHEMBL31295886 0.85 NMUR2 (0.57) NMUR2NMUR1NPY1RNPY2RNPY4R
SCHEMBL31295879 0.85 NMUR2 (0.58) NMUR2NMUR1NPY1RNPY2RNPY4R
SCHEMBL30262222 0.83 NMUR2 (0.64) NMUR2NMUR1RAMP3CALCROPRM1
SCHEMBL34463649 0.83 NMUR2 (0.68) NMUR2NMUR1OPRM1OPRD1NPY1R
SCHEMBL5315506 0.82 RAMP3 (0.59) NMUR2NMUR1RAMP3CALCR
SCHEMBL5315503 0.82 RAMP3 (0.59) NMUR2NMUR1RAMP3CALCR
SCHEMBL30607415 0.81 EP300 (0.67) NMUR2NMUR1RAMP3CALCRNPY1R
SCHEMBL31019921 0.81 EPHA2 (0.59) NMUR2NMUR1RAMP3CALCROPRM1
SCHEMBL29736175 0.81 RAMP3 (0.58) NMUR2NMUR1RAMP3CALCR

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-119119168-A Synthesis method of tyrosine sulfonated polypeptide growth factor 杭州东恒生物医药有限公司 2024-12-13 — — CN disclosed
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