SCHEMBL29521314

SCHEMBL29521314

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CO)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 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.61
▸ C5AR1 P21730 1/20 0.59
▸ CALCR P30988 7/20 0.58
▸ RAMP3 O60896 3/20 0.58
▸ F2 P00734 4/20 0.57
▸ NMUR2 Q9GZQ4 3/20 0.56
▸ NMUR1 Q9HB89 3/20 0.56

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
SCHEMBL29521326 0.96 APLNR (0.59) APLNRC5AR1CALCRRAMP3F2
SCHEMBL30432686 0.91 C5AR1 (0.66) APLNRC5AR1CALCRRAMP3
SCHEMBL30883205 0.91 F2 (0.61) APLNRCALCRRAMP3F2
SCHEMBL30960478 0.89 CALCR (0.66) APLNRC5AR1CALCRF2
SCHEMBL30883230 0.89 RAMP3 (0.64) CALCRRAMP3F2
SCHEMBL31688333 0.88 APLNR (0.65) APLNRC5AR1CALCRRAMP3F2
SCHEMBL30712912 0.88 F2 (0.64) C5AR1CALCRRAMP3F2NMUR2
SCHEMBL29362632 0.88 APLNR (0.61) APLNRC5AR1CALCRRAMP3F2
SCHEMBL29801157 0.87 APLNR (0.60) APLNRC5AR1CALCRRAMP3F2
SCHEMBL31005065 0.87 APLNR (0.55) APLNRC5AR1CALCRRAMP3F2

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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