SCHEMBL29569646

SCHEMBL29569646

CSCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 1/20 0.52
▸ NMUR2 Q9GZQ4 5/20 0.49
▸ NMUR1 Q9HB89 5/20 0.49
▸ APLNR P35414 2/20 0.49
▸ RAMP3 O60896 12/20 0.47
▸ CALCR P30988 12/20 0.47

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
SCHEMBL5495233 0.99 NAA50 (0.52) NAA50NMUR2NMUR1APLNRRAMP3
SCHEMBL29500272 0.97 APLNR (0.51) NAA50NMUR2NMUR1APLNRRAMP3
SCHEMBL30368112 0.96 NMUR2 (0.50) NAA50NMUR2NMUR1APLNRRAMP3
SCHEMBL30918792 0.92 NMUR2 (0.53) NMUR2NMUR1APLNRRAMP3CALCR
SCHEMBL30453671 0.91 NAA50 (0.46) NAA50NMUR2NMUR1APLNRRAMP3
SCHEMBL30712231 0.90 NMUR2 (0.54) NAA50NMUR2NMUR1APLNRRAMP3
SCHEMBL31670630 0.89 NAA50 (0.51) NAA50APLNR
SCHEMBL30099574 0.89 NMUR2 (0.49) NAA50NMUR2NMUR1APLNRRAMP3
SCHEMBL29569552 0.89 NMUR2 (0.47) NMUR2NMUR1APLNRRAMP3CALCR
SCHEMBL30368254 0.88 NAA50 (0.51) NAA50NMUR2NMUR1APLNRRAMP3

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 disclosed
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