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SCHEMBL29903338

SCHEMBL29903338

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.62
▸ APLNR P35414 2/20 0.61
▸ CALCR P30988 4/20 0.59
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ MC4R P32245 1/20 0.56
▸ HCRTR1 O43613 1/20 0.55
▸ HCRTR2 O43614 1/20 0.55
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ GHSR Q92847 1/20 0.54

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
SCHEMBL29416027 0.91 MAPK8 (0.63) F2APLNRCALCRMAPK8MAPK9
SCHEMBL30141845 0.90 APLNR (0.68) F2APLNRCALCRGHSR
SCHEMBL29749731 0.89 APLNR (0.68) F2APLNRCALCRGHSR
SCHEMBL30431750 0.89 F2 (0.70) F2APLNRCALCRHCRTR1HCRTR2
SCHEMBL29949425 0.89 CALCR (0.67) CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182889 0.88 MAPK8 (0.68) F2APLNRCALCRMAPK8MAPK9
SCHEMBL30537477 0.88 NPY2R (0.65) F2CALCRNPY1RNPY2RNPY4R
SCHEMBL31182501 0.88 CALCR (0.71) APLNRCALCRHCRTR1HCRTR2NPY1R
SCHEMBL29810116 0.88 MAPK8 (0.65) CALCRMAPK8MAPK9MAPK10NPY1R
SCHEMBL30495819 0.88 NPY2R (0.59) F2APLNRCALCRHCRTR1HCRTR2

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-107325188-B Construction method and application of CHO cell strain of porcine serum protein fused with porcine circovirus Cap2 protein 唐山怡安生物工程有限公司 2022-08-23 — — CN disclosed
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