SCHEMBL31257058

SCHEMBL31257058

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.40
▸ OPRM1 P35372 3/20 0.37
▸ OPRD1 P41143 3/20 0.37
▸ ACE P12821 4/20 0.37
▸ NAA50 Q9GZZ1 1/20 0.36
▸ APLNR P35414 2/20 0.36
▸ ACE2 Q9BYF1 2/20 0.35
▸ NMUR2 Q9GZQ4 1/20 0.35
▸ NMUR1 Q9HB89 1/20 0.35
▸ DPP4 P27487 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
SCHEMBL30379247 0.94 PLK1 (0.41) PLK1ACENAA50APLNRACE2
SCHEMBL31593272 0.89 PLK1 (0.38) PLK1NAA50APLNRNMUR2NMUR1
SCHEMBL29450071 0.89 ACE (0.40) OPRM1ACEACE2
SCHEMBL29591223 0.88 NMT1 (0.41) PLK1ACENAA50APLNRNMUR2
SCHEMBL29727257 0.86 ACE (0.41) ACEDPP4
SCHEMBL31468804 0.86 NAA50 (0.36) PLK1ACENAA50APLNRACE2
SCHEMBL30366654 0.85 NMUR2 (0.45) PLK1OPRM1OPRD1APLNRNMUR2
SCHEMBL31593372 0.85 MEN1 (0.39) ACEDPP4
SCHEMBL29408366 0.85 APLNR (0.41) PLK1OPRM1ACEAPLNRNMUR2
SCHEMBL31214578 0.83 ACE (0.45) OPRM1ACE

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-20240352445-A1 HUMANIZATION, AFFINITY MATURATION, AND OPTIMIZATION METHODS FOR PROTEINS AND ANTIBODIES ABWIZ BIO, INC. 2024-10-24 — — US disclosed
Send feedback