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SCHEMBL31462341

SCHEMBL31462341

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.58
▸ GLP1R P43220 6/20 0.54
▸ CCKBR P32239 4/20 0.54
▸ CALCR P30988 4/20 0.52
▸ KEAP1 Q14145 1/20 0.51
▸ EED O75530 1/20 0.51
▸ GCGR P47871 1/20 0.51
▸ GIPR P48546 1/20 0.51
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49
▸ CRHR1 P34998 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSH P09668 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ TACR1 P25103 1/20 0.49

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
SCHEMBL31462346 1.00 C5AR1 (0.58) C5AR1GLP1RCCKBRCALCRKEAP1
SCHEMBL31462340 0.94 CALCR (0.56) C5AR1CALCRCRHR1CRHR2
SCHEMBL31462347 0.93 CALCR (0.56) C5AR1CALCRCRHR1CRHR2
SCHEMBL31462342 0.93 CALCR (0.56) C5AR1CALCRCRHR1CRHR2
SCHEMBL31462343 0.92 CALCR (0.59) C5AR1CALCRCRHR1CRHR2
SCHEMBL30607408 0.87 C5AR1 (0.59) C5AR1GLP1RCCKBRCALCRGCGR
SCHEMBL31182843 0.86 F2 (0.62) C5AR1GLP1RCCKBRCALCRNPY1R
SCHEMBL29655661 0.86 C5AR1 (0.63) C5AR1GLP1RGCGRGIPRCTSL
SCHEMBL30167069 0.86 C5AR1 (0.70) C5AR1GLP1RCCKBRCALCRNPY1R
SCHEMBL30859276 0.86 NPY1R (0.65) C5AR1GLP1RCCKBRKEAP1GCGR

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-119462849-A Polypeptide and application thereof in neurodegenerative diseases 天津智泰生物医药科技有限公司 2025-02-18 — — CN disclosed
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