SCHEMBL29569081

SCHEMBL29569081

NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.47
▸ OPRM1 P35372 1/20 0.42
▸ NTMT1 Q9BV86 2/20 0.42
▸ APLNR P35414 2/20 0.42
▸ ACE P12821 2/20 0.42
▸ GRB2 P62993 1/20 0.41
▸ NRP1 O14786 1/20 0.40
▸ NTSR2 O95665 2/20 0.39
▸ NTSR1 P30989 2/20 0.39
▸ SORT1 Q99523 2/20 0.39
▸ OPRD1 P41143 1/20 0.39

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
SCHEMBL31447553 0.86 F2 (0.43) F2OPRM1NTMT1APLNRACE
SCHEMBL31447574 0.86 F2 (0.43) F2OPRM1NTMT1APLNRACE
SCHEMBL29568928 0.86 APLNR (0.44) F2OPRM1NTMT1APLNR
SCHEMBL30767145 0.85 NMUR2 (0.46) F2OPRM1APLNRNTSR2NTSR1
SCHEMBL30658569 0.85 NMUR2 (0.40) F2OPRM1APLNRGRB2NRP1
SCHEMBL31661806 0.84 APLNR (0.47) F2OPRM1NTMT1APLNRACE
SCHEMBL30284972 0.83 OPRM1 (0.49) F2OPRM1NTMT1APLNROPRD1
SCHEMBL30424443 0.83 F2 (0.50) F2OPRM1ACEGRB2NRP1
SCHEMBL30297051 0.83 APLNR (0.47) OPRM1APLNRNTSR2NTSR1OPRD1
SCHEMBL30658573 0.82 NMUR2 (0.43) OPRM1GRB2NRP1NTSR2NTSR1

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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