SCHEMBL31073573

SCHEMBL31073573

N=C(N)NCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 1/20 0.59
▸ KISS1R Q969F8 5/20 0.58
▸ CXCR4 P61073 3/20 0.56
▸ C5AR1 P21730 1/20 0.54
▸ OPRM1 P35372 2/20 0.54
▸ CXCL8 P10145 5/20 0.53
▸ MC4R P32245 1/20 0.53
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52

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
SCHEMBL31409438 0.87 CXCR4 (0.63) IL23RKISS1RCXCR4CXCL8
SCHEMBL31409436 0.87 CXCR4 (0.63) IL23RKISS1RCXCR4CXCL8
SCHEMBL30571131 0.85 C5AR1 (0.59) KISS1RC5AR1OPRM1CXCL8
SCHEMBL30392847 0.85 CXCR4 (0.67) IL23RCXCR4C5AR1MC4RMC5R
SCHEMBL31323240 0.85 EPHA2 (0.59) IL23ROPRM1NMUR2NMUR1
SCHEMBL38654326 0.85 C5AR1 (0.65) IL23RKISS1RCXCR4C5AR1OPRM1
SCHEMBL29476615 0.84 DPP3 (0.55) IL23RKISS1RCXCR4C5AR1OPRM1
SCHEMBL29476485 0.84 DPP3 (0.55) IL23RKISS1RCXCR4C5AR1OPRM1
SCHEMBL30285072 0.84 CXCR4 (0.60) IL23RCXCR4C5AR1CXCL8
SCHEMBL31433287 0.84 KISS1R (0.59) IL23RKISS1RCXCR4CXCL8NMUR2

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-118777592-A Colloidal gold test strip for detecting anti-PLA 2R antibody, preparation method thereof, kit and application 江南大学 2024-10-15 — — CN disclosed
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