SCHEMBL31575684

SCHEMBL31575684

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.56
▸ MAOB P27338 1/20 0.55
▸ KDM5A P29375 1/20 0.55
▸ KDM1B Q8NB78 1/20 0.55
▸ RAMP3 O60896 2/20 0.55
▸ CALCR P30988 2/20 0.55
▸ SLC6A2 P23975 1/20 0.54
▸ NPY2R P49146 7/20 0.54
▸ NPY4R P50391 7/20 0.54
▸ NPY5R Q15761 7/20 0.54
▸ NPY1R P25929 5/20 0.54
▸ NTSR2 O95665 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ EPHA2 P29317 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
SCHEMBL30320529 0.96 KDM1A (0.57) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL29395807 0.90 KDM1A (0.64) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL30792437 0.89 NMUR2 (0.56) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL31452906 0.89 KDM1A (0.57) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL31307252 0.88 EPHA2 (0.63) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL30906005 0.88 NTSR1 (0.60) KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL29477118 0.87 KDM1A (0.60) KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30906001 0.87 SLC6A2 (0.59) SLC6A2NTSR2NTSR1EPHA2
SCHEMBL31151849 0.87 EPHA2 (0.63) KDM1AMAOBKDM5AKDM1BSLC6A2
SCHEMBL31031455 0.87 KDM1A (0.65) KDM1AMAOBKDM5AKDM1BRAMP3

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-120019812-A Artificial toad venom composition and application thereof 南京中医药大学 2025-05-20 — — CN claimed
CN-120019812-A Artificial toad venom composition and application thereof 南京中医药大学 2025-05-20 — — CN disclosed
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