SCHEMBL31462073

SCHEMBL31462073

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.56
▸ NMUR1 Q9HB89 5/20 0.56
▸ OPRD1 P41143 5/20 0.55
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ NTSR1 P30989 1/20 0.52
▸ TFPI P10646 1/20 0.52
▸ EPHA2 P29317 1/20 0.52
▸ EP300 Q09472 1/20 0.52
▸ HIF1A Q16665 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
SCHEMBL31461928 0.97 NMUR2 (0.59) NMUR2NMUR1OPRD1MAPK8MAPK9
SCHEMBL31461985 0.97 NMUR2 (0.59) NMUR2NMUR1OPRD1MAPK8MAPK9
SCHEMBL31462048 0.97 NMUR2 (0.59) NMUR2NMUR1OPRD1MAPK8MAPK9
SCHEMBL31461946 0.96 NMUR2 (0.58) NMUR2NMUR1OPRD1MAPK8MAPK9
SCHEMBL31461843 0.93 OPRD1 (0.54) OPRD1NTSR1
SCHEMBL31462017 0.91 NMUR2 (0.57) NMUR2NMUR1OPRD1MAPK8MAPK9
SCHEMBL31462123 0.90 NMUR2 (0.59) NMUR2NMUR1OPRD1MAPK8MAPK9
SCHEMBL31461914 0.90 MAPK8 (0.58) NMUR2NMUR1OPRD1MAPK8MAPK9
SCHEMBL29479776 0.90 MAPK8 (0.62) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31462034 0.87 TFPI (0.55) OPRD1TFPI

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
US-20250113828-A1 METHOD OF USING/APPLYING A KERATIN HYDROLYSIS PEPTIDE SOLUTION TO IMPROVE THE FERTILIZER USAGE EFFICIENCY IN COTTON CH BIOTECH R&D CO., LTD. (TW) 2025-04-10 — — US disclosed
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