SCHEMBL29521326

SCHEMBL29521326

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.59
▸ C5AR1 P21730 1/20 0.58
▸ MC4R P32245 1/20 0.56
▸ CALCR P30988 6/20 0.55
▸ RAMP3 O60896 2/20 0.55
▸ F2 P00734 4/20 0.55
▸ NMUR2 Q9GZQ4 1/20 0.54
▸ NMUR1 Q9HB89 1/20 0.54
▸ RAMP1 O60894 1/20 0.53
▸ RAMP2 O60895 1/20 0.53
▸ CALCRL Q16602 1/20 0.53
▸ NMBR P28336 1/20 0.53
▸ GRPR P30550 1/20 0.53

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
SCHEMBL29521314 0.96 APLNR (0.61) APLNRC5AR1CALCRRAMP3F2
SCHEMBL30432686 0.95 C5AR1 (0.66) APLNRC5AR1MC4RCALCRRAMP3
SCHEMBL30883205 0.89 F2 (0.61) APLNRMC4RCALCRRAMP3F2
SCHEMBL31296089 0.88 APLNR (0.61) APLNRC5AR1MC4RCALCRRAMP3
SCHEMBL31169469 0.88 C5AR1 (0.61) C5AR1MC4RCALCRRAMP3F2
SCHEMBL30446021 0.88 CALCR (0.68) APLNRCALCRF2
SCHEMBL30512520 0.88 F2 (0.61) APLNRC5AR1MC4RCALCRF2
SCHEMBL31157043 0.87 APLNR (0.58) APLNRC5AR1
SCHEMBL30565138 0.87 CALCR (0.68) APLNRC5AR1CALCR
SCHEMBL30565140 0.87 CALCR (0.68) APLNRC5AR1CALCR

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-112745380-B Bioactive peptide with amino acid structure RAGLQFPVGRVH, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-04-08 — — CN disclosed
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