SCHEMBL31265332

SCHEMBL31265332

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.43
▸ OPRM1 P35372 6/20 0.43
▸ OPRK1 P41145 6/20 0.43
▸ REN P00797 3/20 0.41
▸ EPHA2 P29317 1/20 0.40

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
SCHEMBL31593308 0.97 OPRM1 (0.41) ACEOPRM1OPRK1RENEPHA2
SCHEMBL29801687 0.96 OPRM1 (0.47) ACEOPRM1OPRK1
SCHEMBL30905097 0.92 OPRM1 (0.42) ACEOPRM1OPRK1RENEPHA2
SCHEMBL31412169 0.91 OPRM1 (0.46) OPRM1OPRK1EPHA2
SCHEMBL29801838 0.91 OPRM1 (0.52) ACEOPRM1OPRK1EPHA2
SCHEMBL29788416 0.89 ACE (0.44) ACEOPRM1OPRK1REN
SCHEMBL30844081 0.89 MAPK8 (0.45) OPRM1OPRK1
SCHEMBL30525782 0.88 EPHA2 (0.42) ACEOPRM1OPRK1RENEPHA2
SCHEMBL30525426 0.88 EPHA2 (0.51) OPRM1OPRK1EPHA2
SCHEMBL29801999 0.88 OPRM1 (0.48) ACEOPRM1OPRK1

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
CN-118853640-A Carbapenem drug-resistant gene and application thereof 郑州大学 2024-10-29 — — CN disclosed
Send feedback