SCHEMBL29568804

SCHEMBL29568804

N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.45
▸ ACE2 Q9BYF1 5/20 0.39
▸ FAP Q12884 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ PREP P48147 1/20 0.35
▸ LTA4H P09960 1/20 0.35

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
SCHEMBL29569960 0.85 CALCRL (0.38) —
SCHEMBL4595209 0.84 DPP4 (0.44) ACEACE2FAPDPP4LTA4H
SCHEMBL5734357 0.84 DPP4 (0.44) ACEACE2FAPDPP4LTA4H
SCHEMBL4595206 0.84 DPP4 (0.44) ACEACE2FAPDPP4LTA4H
SCHEMBL29568610 0.84 XIAP (0.47) —
SCHEMBL31127573 0.83 PSMB9 (0.42) —
SCHEMBL30366623 0.83 ACE (0.48) ACEACE2
SCHEMBL29568889 0.83 CALCRL (0.38) —
SCHEMBL30630359 0.83 SLC6A2 (0.48) ACE
SCHEMBL29630670 0.82 TRHR (0.42) ACEACE2

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
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP claimed
Send feedback