SCHEMBL30032548

SCHEMBL30032548

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.56
▸ APLNR P35414 1/20 0.54
▸ RAMP3 O60896 14/20 0.54
▸ CALCR P30988 14/20 0.54
▸ GLP1R P43220 1/20 0.50
▸ GCGR P47871 1/20 0.50

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
SCHEMBL30034599 0.98 C5AR1 (0.53) C5AR1APLNRRAMP3CALCRGLP1R
SCHEMBL30032933 0.96 C5AR1 (0.52) C5AR1APLNRRAMP3CALCRGLP1R
SCHEMBL30033780 0.96 C5AR1 (0.55) C5AR1APLNRRAMP3CALCRGLP1R
SCHEMBL30034670 0.94 C5AR1 (0.53) C5AR1APLNRRAMP3CALCRGLP1R
SCHEMBL30033621 0.88 C5AR1 (0.52) C5AR1APLNRRAMP3CALCRGLP1R
SCHEMBL30542985 0.88 C5AR1 (0.60) C5AR1APLNRCALCRGLP1RGCGR
SCHEMBL30620469 0.87 CTSL (0.54) C5AR1APLNRRAMP3CALCR
SCHEMBL29367188 0.87 APLNR (0.57) C5AR1APLNRRAMP3CALCR
SCHEMBL30542979 0.86 C5AR1 (0.59) C5AR1APLNRCALCRGLP1RGCGR
SCHEMBL31182669 0.86 NPY2R (0.58) C5AR1RAMP3CALCRGLP1RGCGR

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-111239302-B Method for obtaining specific peptide fragments by utilizing endoprotease to cut collagen and application 南京中医药大学 2022-08-26 — — CN disclosed
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