SCHEMBL29679831

SCHEMBL29679831

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.48
▸ REN P00797 10/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ MAOB P27338 1/20 0.44
▸ KDM5A P29375 1/20 0.44
▸ KDM1B Q8NB78 1/20 0.44
▸ OPRM1 P35372 1/20 0.42

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
SCHEMBL29977789 0.90 MAPK8 (0.46) KDM1ARENMAPK8MAPK9MAPK10
SCHEMBL30311476 0.87 KDM1A (0.54) KDM1ARENMAPK8MAPK9MAPK10
SCHEMBL30311073 0.87 KDM1A (0.54) KDM1ARENMAPK8MAPK9MAPK10
SCHEMBL30311221 0.87 KDM1A (0.52) KDM1ARENMAPK8MAPK9MAPK10
SCHEMBL29414612 0.86 KDM1A (0.50) KDM1ARENMAPK8MAPK9MAPK10
SCHEMBL31031504 0.86 KDM1A (0.48) KDM1ARENMAPK8MAPK9MAPK10
SCHEMBL30844395 0.86 REN (0.49) KDM1ARENMAPK8MAPK9MAPK10
SCHEMBL31031452 0.85 KDM1A (0.52) KDM1ARENMAOBKDM5AKDM1B
SCHEMBL30311246 0.85 REN (0.50) KDM1ARENMAPK8MAPK9MAPK10
SCHEMBL29679816 0.85 OPRM1 (0.49) OPRM1

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO claimed
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
Send feedback