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SCHEMBL30167880

SCHEMBL30167880

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.60
▸ MC4R P32245 1/20 0.60
▸ C5AR1 P21730 1/20 0.57
▸ RAMP1 O60894 1/20 0.57
▸ RAMP2 O60895 1/20 0.57
▸ RAMP3 O60896 1/20 0.57
▸ CALCRL Q16602 1/20 0.57
▸ GLP1R P43220 5/20 0.57
▸ CCKBR P32239 2/20 0.57
▸ GCGR P47871 3/20 0.56
▸ APLNR P35414 1/20 0.56
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ CXCR4 P61073 1/20 0.53
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ HCRTR1 O43613 1/20 0.53
▸ HCRTR2 O43614 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
SCHEMBL30299016 0.89 CALCR (0.69) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29849478 0.88 MC4R (0.60) CALCRMC4RC5AR1RAMP1RAMP2
SCHEMBL29903306 0.88 CALCR (0.66) CALCRMC4RGLP1RCCKBRCRHR1
SCHEMBL31182960 0.87 CXCR4 (0.68) CALCRGLP1RCCKBRGCGRCXCR4
SCHEMBL30567018 0.86 CALCR (0.69) CALCRC5AR1GLP1RCCKBRGCGR
SCHEMBL2905167 0.86 CALCR (0.76) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL30252487 0.85 CALCR (0.60) CALCRMC4RRAMP1RAMP2RAMP3
SCHEMBL29697168 0.85 OPRM1 (0.60) CALCRC5AR1APLNRMAPK8MAPK9
SCHEMBL30432079 0.85 CXCR4 (0.61) CALCRC5AR1RAMP3APLNRCXCR4
SCHEMBL31255131 0.85 MC4R (0.64) CALCRMC4RC5AR1RAMP1RAMP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12102086-B2 Antimicrobial peptide Spampcin56-86 from Scylla paramamosain and applications thereof XIAMEN UNIVERSITY (CN) 2024-10-01 — — US disclosed
US-20230404076-A1 ANTIMICROBIAL PEPTIDE SPAMPCIN56-86 FROM SCYLLA PARAMAMOSAIN AND APPLICATIONS THEREOF XIAMEN UNIVERSITY (CN) 2023-12-21 — — US disclosed
CN-113307855-B Scylla paramamosain antibacterial polypeptide Spampcin 56-86 And applications thereof 厦门大学 2023-08-01 — — CN disclosed
WO-2022268115-A1 SCYLLA PARAMAMOSAIN ANTIBACTERIAL POLYPEPTIDE SPAMPCIN 56-86 AND APPLICATION THEREOF 厦门大学 2022-12-29 — — WO disclosed
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