SCHEMBL29602731

SCHEMBL29602731

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.63
▸ TACR1 P25103 1/20 0.60
▸ AGTR1 P30556 1/20 0.57
▸ AGTR2 P50052 1/20 0.57
▸ KISS1R Q969F8 4/20 0.57
▸ NTSR2 O95665 4/20 0.56
▸ NTSR1 P30989 4/20 0.56
▸ SORT1 Q99523 3/20 0.56
▸ OPRD1 P41143 3/20 0.56
▸ OPRM1 P35372 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ PCSK9 Q8NBP7 1/20 0.54

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
SCHEMBL30729468 0.88 NPY1R (0.61) KISS1R
SCHEMBL29602399 0.87 KISS1R (0.65) C5AR1TACR1KISS1RNTSR2NTSR1
SCHEMBL29550964 0.86 KISS1R (0.58) C5AR1TACR1KISS1RNTSR2NTSR1
SCHEMBL31606485 0.84 CXCL8 (0.56) C5AR1KISS1R
SCHEMBL29465231 0.84 CXCR4 (0.56) C5AR1TACR1KISS1ROPRD1PCSK9
SCHEMBL29679514 0.84 NPY1R (0.68) —
SCHEMBL30176440 0.84 NPY1R (0.64) C5AR1
SCHEMBL29445593 0.84 KISS1R (0.61) KISS1R
SCHEMBL30906422 0.83 NPY1R (0.68) —
SCHEMBL5710842 0.83 CXCR4 (0.60) TACR1KISS1RNTSR2NTSR1SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240288423-A1 PEPTIDE EXCHANGE SYSTEM AND METHOD MEDICAL & BIOLOGICAL LABORATORIES CO., LTD (JP) 2024-08-29 — — US disclosed
US-12044680-B2 Peptide exchange system and method MBL INTERNATIONAL CORP. (US) 2024-07-23 — — US disclosed
CN-107531736-B Lipid A mimetics, methods of making and uses thereof 免疫疫苗科技公司 2022-04-15 — — CN disclosed
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