SCHEMBL30963695

SCHEMBL30963695

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(N)=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ EP300 Q09472 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ NPY2R P49146 7/20 0.53
▸ NPY4R P50391 7/20 0.53
▸ NPY5R Q15761 7/20 0.53
▸ NPY1R P25929 5/20 0.53
▸ NMUR2 Q9GZQ4 2/20 0.53
▸ NMUR1 Q9HB89 2/20 0.53
▸ EPHA2 P29317 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ CXCR4 P61073 3/20 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
SCHEMBL32676360 0.96 EP300 (0.59) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30712780 0.95 NPY2R (0.58) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30712788 0.92 EP300 (0.56) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30581208 0.88 NPY2R (0.59) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31556380 0.87 MAPK8 (0.55) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30525422 0.86 EPHA2 (0.57) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30883213 0.85 NMUR2 (0.64) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30788350 0.85 NMUR2 (0.58) NMUR2NMUR1EPHA2CXCR4
SCHEMBL31651397 0.85 NPY2R (0.71) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30512535 0.85 NMUR2 (0.63) MAPK8MAPK9MAPK10NPY2RNPY4R

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
EP-4605008-A1 ALPHA-V BETA-6 INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY Alnylam Pharmaceuticals, Inc. (US) 2025-08-27 — — EP disclosed
WO-2024129931-A1 ALPHA-V BETA-6(ανβ6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-20 — — WO disclosed
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