SCHEMBL31091491

SCHEMBL31091491

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.61
▸ KDM1A O60341 3/20 0.59
▸ NMUR2 Q9GZQ4 5/20 0.57
▸ NMUR1 Q9HB89 5/20 0.57
▸ MAOB P27338 1/20 0.55
▸ KDM5A P29375 1/20 0.55
▸ KDM1B Q8NB78 1/20 0.55
▸ TFPI P10646 2/20 0.54
▸ AGTR1 P30556 1/20 0.54
▸ AGTR2 P50052 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ C5AR1 P21730 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53

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
SCHEMBL30940242 0.90 NMUR2 (0.55) EPHA2KDM1ANMUR2NMUR1MAOB
SCHEMBL30512776 0.89 KDM1A (0.61) EPHA2KDM1ANMUR2NMUR1MAOB
SCHEMBL31307252 0.89 EPHA2 (0.63) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL29521532 0.89 KDM1A (0.66) EPHA2KDM1ANMUR2NMUR1MAOB
SCHEMBL31206300 0.89 EPHA2 (0.58) EPHA2KDM1ANMUR2NMUR1AGTR1
SCHEMBL30567697 0.88 NPY2R (0.65) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL29395807 0.88 KDM1A (0.64) EPHA2KDM1ANMUR2NMUR1MAOB
SCHEMBL30593545 0.88 EPHA2 (0.63) EPHA2KDM1ANMUR2NMUR1AGTR1
SCHEMBL31307278 0.87 NPY1R (0.64) NMUR2NMUR1OPRM1OPRD1NPY1R
SCHEMBL29980254 0.87 KDM1A (0.63) EPHA2KDM1ANMUR2NMUR1MAOB

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
CN-118420711-A ACE inhibitory peptide SPYNEFVR and application thereof 福建省农业科学院农产品加工研究所 2024-08-02 — — CN claimed
CN-118420711-A ACE inhibitory peptide SPYNEFVR and application thereof 福建省农业科学院农产品加工研究所 2024-08-02 — — CN disclosed
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