SCHEMBL29569993

SCHEMBL29569993

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.53
▸ OPRD1 P41143 5/20 0.53
▸ BDKRB2 P30411 1/20 0.52
▸ NMUR2 Q9GZQ4 2/20 0.50
▸ NMUR1 Q9HB89 2/20 0.50
▸ EPHA2 P29317 1/20 0.48
▸ KEAP1 Q14145 1/20 0.47
▸ OPRK1 P41145 1/20 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
SCHEMBL31091335 0.92 ACE (0.50) —
SCHEMBL29485046 0.92 BDKRB2 (0.54) OPRM1OPRD1BDKRB2NMUR2NMUR1
SCHEMBL14028489 0.90 ACE (0.55) OPRM1OPRD1NMUR2NMUR1
SCHEMBL29590392 0.90 BDKRB2 (0.58) OPRM1OPRD1BDKRB2NMUR2NMUR1
SCHEMBL31362692 0.89 ACE (0.49) OPRM1OPRD1OPRK1
SCHEMBL29750398 0.87 BDKRB2 (0.62) OPRM1OPRD1BDKRB2NMUR2NMUR1
SCHEMBL29630805 0.87 BDKRB2 (0.41) OPRM1OPRD1BDKRB2NMUR2NMUR1
SCHEMBL31013891 0.86 ACE (0.58) OPRM1OPRD1BDKRB2OPRK1
SCHEMBL29666821 0.86 OPRM1 (0.56) OPRM1OPRD1BDKRB2NMUR2NMUR1
SCHEMBL31384595 0.86 NPY4R (0.60) OPRM1OPRK1

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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