SCHEMBL31119609

SCHEMBL31119609

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.55
▸ IL23R Q5VWK5 1/20 0.54
▸ NMUR2 Q9GZQ4 2/20 0.52
▸ NMUR1 Q9HB89 2/20 0.52
▸ KEAP1 Q14145 1/20 0.51
▸ F2 P00734 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ OPRM1 P35372 5/20 0.50
▸ OPRK1 P41145 5/20 0.50

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
SCHEMBL31119607 0.99 IL23R (0.54) APLNRIL23RNMUR2NMUR1KEAP1
SCHEMBL30558096 0.88 SLC6A2 (0.60) IL23RNMUR2NMUR1OPRM1OPRK1
SCHEMBL29496464 0.87 KEAP1 (0.59) IL23RNMUR2NMUR1KEAP1OPRM1
SCHEMBL31603932 0.84 NMUR2 (0.61) APLNRNMUR2NMUR1MAPK8MAPK9
SCHEMBL31593279 0.84 RAMP3 (0.47) APLNRIL23R
SCHEMBL29411143 0.84 APLNR (0.65) APLNRNMUR2NMUR1OPRM1OPRK1
SCHEMBL29512235 0.84 OPRD1 (0.54) NMUR2NMUR1F2OPRM1
SCHEMBL29662379 0.84 KEAP1 (0.56) IL23RKEAP1OPRM1
SCHEMBL30495598 0.84 NMUR2 (0.49) APLNRNMUR2NMUR1F2OPRM1
SCHEMBL29679911 0.84 NMUR2 (0.61) APLNRNMUR2NMUR1KEAP1OPRM1

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-118898031-A Method and device for rapidly predicting antifreeze peptide based on position coding 中国海洋大学 2024-11-05 — — CN disclosed
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