SCHEMBL31473050

SCHEMBL31473050

C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.61
▸ EPHA2 P29317 2/20 0.60
▸ NMUR2 Q9GZQ4 3/20 0.58
▸ NMUR1 Q9HB89 3/20 0.58
▸ TFPI P10646 4/20 0.58
▸ NPY2R P49146 6/20 0.58
▸ NPY4R P50391 6/20 0.58
▸ NPY5R Q15761 6/20 0.58
▸ NPY1R P25929 4/20 0.58
▸ RAMP3 O60896 1/20 0.57
▸ CALCR P30988 1/20 0.57

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
SCHEMBL30415150 0.96 EPHA2 (0.62) CXCR4EPHA2NMUR2NMUR1TFPI
Rusalatide SCHEMBL29392126 0.95 EPHA2 (0.62) CXCR4EPHA2TFPINPY2RNPY4R
Rusalatide SCHEMBL29357268 0.95 TFPI (0.62) CXCR4EPHA2TFPINPY2RNPY4R
SCHEMBL30415361 0.94 EPHA2 (0.65) CXCR4EPHA2NMUR2NMUR1TFPI
SCHEMBL29390108 0.93 EPHA2 (0.62) CXCR4EPHA2TFPINPY2RNPY4R
SCHEMBL30415710 0.93 EPHA2 (0.65) EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL30415381 0.93 EPHA2 (0.65) EPHA2TFPINPY2RNPY4RNPY5R
SCHEMBL30186436 0.93 CXCR4 (0.58) CXCR4EPHA2NMUR2NMUR1TFPI
SCHEMBL30186412 0.91 EPHA2 (0.65) EPHA2NMUR2NMUR1TFPINPY2R
SCHEMBL29392765 0.90 EPHA2 (0.57) CXCR4EPHA2TFPINPY2RNPY4R

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
US-20250186339-A1 COMPOSITION FOR INTRAORAL DELIVERY OF BIOLOGICALLY ACTIVE PEPTIDES AND PROTEINS SCHWARZ JOSEPH (CA) 2025-06-12 — — US disclosed
US-12246087-B2 Composition for intraoral delivery of biologically active peptides and proteins PHARCON INC (CA) 2025-03-11 — — US disclosed
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