SCHEMBL30185050

SCHEMBL30185050

CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.62
▸ GLP1R P43220 4/20 0.60
▸ GCGR P47871 3/20 0.60
▸ CALCR P30988 3/20 0.60
▸ F2 P00734 4/20 0.59
▸ CTSL P07711 3/20 0.58
▸ CTSS P25774 3/20 0.58
▸ CTSK P43235 3/20 0.58
▸ CTSH P09668 1/20 0.58
▸ KEAP1 Q14145 1/20 0.57
▸ NMUR2 Q9GZQ4 1/20 0.57
▸ NMUR1 Q9HB89 1/20 0.57

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
SCHEMBL30276691 0.92 CALCR (0.68) APLNRGLP1RGCGRCALCRF2
SCHEMBL31182794 0.92 APLNR (0.64) APLNRGLP1RGCGRCALCRF2
SCHEMBL29446772 0.92 CALCR (0.67) APLNRGLP1RGCGRCALCRF2
SCHEMBL29963415 0.92 CALCR (0.67) APLNRGLP1RGCGRCALCRF2
SCHEMBL30446021 0.90 CALCR (0.68) APLNRGLP1RGCGRCALCRF2
SCHEMBL29695502 0.90 APLNR (0.64) APLNRCALCRF2CTSLCTSS
SCHEMBL30524357 0.89 APLNR (0.67) APLNRGLP1RGCGRCALCRCTSL
SCHEMBL30176412 0.89 MC4R (0.63) APLNRCALCRF2NMUR2NMUR1
SCHEMBL30607310 0.89 CALCR (0.66) APLNRGLP1RGCGRCALCRF2
SCHEMBL29742982 0.89 CALCR (0.65) APLNRGLP1RGCGRCALCRF2

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-113461783-B Podophyllin antagonistic polypeptide and derivative and application thereof 清华大学深圳国际研究生院 2023-02-17 — — CN disclosed
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