SCHEMBL31119607

SCHEMBL31119607

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=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 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 1/20 0.54
▸ APLNR P35414 1/20 0.54
▸ NMUR2 Q9GZQ4 5/20 0.53
▸ NMUR1 Q9HB89 5/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ RAMP3 O60896 1/20 0.51
▸ CALCR P30988 1/20 0.51
▸ C5AR1 P21730 1/20 0.50
▸ F2 P00734 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 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
SCHEMBL31119609 0.99 APLNR (0.55) IL23RAPLNRNMUR2NMUR1KEAP1
SCHEMBL29496464 0.89 KEAP1 (0.59) IL23RNMUR2NMUR1KEAP1RAMP3
SCHEMBL30558096 0.87 SLC6A2 (0.60) IL23RNMUR2NMUR1C5AR1
SCHEMBL31182750 0.86 NPY2R (0.60) IL23RKEAP1RAMP3CALCR
SCHEMBL31603932 0.86 NMUR2 (0.61) APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL29512235 0.86 OPRD1 (0.54) NMUR2NMUR1F2
SCHEMBL29411143 0.86 APLNR (0.65) APLNRNMUR2NMUR1
SCHEMBL30495598 0.85 NMUR2 (0.49) APLNRNMUR2NMUR1F2
SCHEMBL29662379 0.85 KEAP1 (0.56) IL23RKEAP1RAMP3CALCRC5AR1
SCHEMBL29679911 0.85 NMUR2 (0.61) APLNRNMUR2NMUR1KEAP1

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
Send feedback