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SCHEMBL17887956

SCHEMBL17887956

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 5/20 0.51
▸ NMUR2 Q9GZQ4 5/20 0.51
▸ NMUR1 Q9HB89 5/20 0.51
▸ F2 P00734 1/20 0.50
▸ OPRD1 P41143 7/20 0.49
▸ OPRM1 P35372 3/20 0.49

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
SCHEMBL17887894 0.91 F2 (0.59) BDKRB2NMUR2NMUR1F2OPRD1
SCHEMBL9739197 0.89 BDKRB2 (0.61) BDKRB2NMUR2NMUR1F2OPRD1
SCHEMBL9739189 0.89 BDKRB2 (0.61) BDKRB2NMUR2NMUR1F2OPRD1
SCHEMBL8072324 0.88 BDKRB2 (0.58) BDKRB2NMUR2NMUR1F2OPRD1
SCHEMBL9796839 0.86 BDKRB2 (0.65) BDKRB2NMUR2NMUR1F2OPRD1
SCHEMBL9796830 0.86 BDKRB2 (0.65) BDKRB2NMUR2NMUR1F2OPRD1
SCHEMBL17887920 0.86 F2 (0.60) NMUR2NMUR1F2OPRM1
SCHEMBL29973237 0.85 BDKRB2 (0.64) BDKRB2NMUR2NMUR1F2OPRD1
SCHEMBL17887567 0.85 BDKRB2 (0.64) BDKRB2NMUR2NMUR1F2OPRD1
SCHEMBL29973203 0.85 BDKRB2 (0.67) BDKRB2NMUR2NMUR1F2OPRD1

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
WO-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 — — WO disclosed
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