SCHEMBL29410419

SCHEMBL29410419

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 7/20 0.61
▸ NMBR P28336 1/20 0.58
▸ GRPR P30550 1/20 0.58
▸ CCKBR P32239 7/20 0.57
▸ CCKAR P32238 1/20 0.56
▸ C5AR1 P21730 1/20 0.55
▸ IL23R Q5VWK5 2/20 0.55

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
SCHEMBL29533287 0.98 CCKBR (0.60) GLP1RNMBRGRPRCCKBRCCKAR
SCHEMBL29389186 0.92 IL23R (0.62) GLP1RCCKBRCCKARC5AR1IL23R
SCHEMBL30037155 0.92 IL23R (0.62) GLP1RCCKBRCCKARC5AR1IL23R
SCHEMBL29410268 0.92 IL23R (0.62) GLP1RCCKBRCCKARC5AR1IL23R
SCHEMBL29389409 0.90 IL23R (0.64) CCKBRCCKARIL23R
SCHEMBL29534029 0.90 IL23R (0.61) GLP1RCCKBRCCKARC5AR1IL23R
SCHEMBL30037407 0.89 IL23R (0.61) GLP1RCCKBRCCKARC5AR1IL23R
SCHEMBL29581449 0.86 GLP1R (0.66) GLP1RIL23R
SCHEMBL29533546 0.86 C5AR1 (0.63) GLP1RCCKBRC5AR1IL23R
SCHEMBL29702143 0.85 CCKBR (0.74) GRPRCCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120154608-A Application of traditional Chinese medicine compound as targeting itch receptor MRGPRX and MRGPRX2 antagonist 山东大学 2025-06-17 — — CN disclosed
WO-2025106999-A1 DEPRIVATION OF HUMAN PLURIPOTENT STEM CELL-DERIVED TRPV1+, MRGPRX1+ AND SCN9A+ SENSORY NEURONS AND THEIR FUNCTIONAL CHARACTERIZATION THE JOHNS HOPKINS UNIVERSITY (US) 2025-05-22 — — WO disclosed
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