SCHEMBL29477118

SCHEMBL29477118

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.60
▸ NTSR2 O95665 5/20 0.58
▸ NTSR1 P30989 5/20 0.58
▸ SORT1 Q99523 5/20 0.58
▸ MAOB P27338 1/20 0.57
▸ KDM5A P29375 1/20 0.57
▸ KDM1B Q8NB78 1/20 0.57
▸ NPY2R P49146 2/20 0.55
▸ NPY4R P50391 2/20 0.55
▸ NPY5R Q15761 2/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ KEAP1 Q14145 1/20 0.54
▸ OPRM1 P35372 6/20 0.54
▸ OPRK1 P41145 6/20 0.54

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
SCHEMBL30053247 0.93 KDM1A (0.62) KDM1ANTSR2NTSR1SORT1MAOB
SCHEMBL29419429 0.91 OPRM1 (0.59) KDM1ANTSR2NTSR1SORT1MAOB
SCHEMBL31031455 0.90 KDM1A (0.65) KDM1ANTSR2NTSR1SORT1MAOB
SCHEMBL31031546 0.90 KDM1A (0.67) KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL29886800 0.90 NTSR2 (0.67) NTSR2NTSR1SORT1NPY2RNPY4R
SCHEMBL30578758 0.89 NTSR2 (0.59) NTSR2NTSR1SORT1NPY2RNPY4R
SCHEMBL29770298 0.89 NPY4R (0.57) NTSR2NTSR1SORT1NPY2RNPY4R
SCHEMBL30320529 0.89 KDM1A (0.57) KDM1ANTSR2NTSR1SORT1MAOB
SCHEMBL30578756 0.89 NTSR2 (0.61) NTSR2NTSR1SORT1NPY2RNPY4R
SCHEMBL29856103 0.89 TFPI (0.60) KDM1AMAOBKDM5AKDM1BNPY2R

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-114158715-A Dahurian rose yellow butter bolete delicate flavor peptide and preparation method thereof 昆明理工大学 2022-03-11 — — CN claimed
CN-114158715-A Dahurian rose yellow butter bolete delicate flavor peptide and preparation method thereof 昆明理工大学 2022-03-11 — — CN disclosed
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