SCHEMBL30997437

SCHEMBL30997437

N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.40
▸ REN P00797 3/20 0.40
▸ NRP1 O14786 1/20 0.39
▸ NMUR2 Q9GZQ4 2/20 0.37
▸ NMUR1 Q9HB89 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM1B Q8NB78 1/20 0.37
▸ MC4R P32245 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PEPD P12955 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL30471842 0.91 ACE (0.41) ACERENNMUR2NMUR1PLK1
SCHEMBL29800433 0.90 NRP1 (0.48) NRP1NMUR2NMUR1F2PLK1
SCHEMBL30552516 0.90 ACE (0.49) ACENRP1
SCHEMBL30272488 0.89 ACE (0.40) ACERENNRP1NMUR2NMUR1
SCHEMBL31461877 0.89 NTSR1 (0.43) KDM1AMAOBKDM5AKDM1B
SCHEMBL30997453 0.89 NTSR1 (0.45) PLK1
SCHEMBL34466206 0.89 BDKRB2 (0.44) ACENRP1MC4RPLK1
SCHEMBL29450071 0.88 ACE (0.40) ACERENNRP1KDM4EF2
SCHEMBL30422984 0.88 ACE (0.47) ACENRP1
SCHEMBL30844020 0.88 TSHR (0.39) ACERENNRP1KDM4EF2

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
US-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
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