SCHEMBL31258873

SCHEMBL31258873

O=C(NCC(=O)N1CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.49
▸ PREP P48147 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ F2 P00734 1/20 0.48
▸ ACE P12821 6/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ACE2 Q9BYF1 3/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ FAP Q12884 1/20 0.41
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41

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
SCHEMBL29444020 1.00 OPRD1 (0.49) OPRD1PREPKMT2AF2ACE
SCHEMBL21462327 1.00 OPRD1 (0.49) OPRD1PREPKMT2AF2ACE
SCHEMBL30034009 0.97 OPRD1 (0.47) OPRD1PREPKMT2AF2ACE
SCHEMBL28665306 0.97 OPRD1 (0.48) OPRD1PREPKMT2AF2ACE
SCHEMBL30366864 0.97 OPRD1 (0.48) OPRD1PREPKMT2AF2ACE
SCHEMBL29565875 0.90 KMT2A (0.54) OPRD1KMT2AF2ACEALDH1A1
SCHEMBL28559438 0.90 F2 (0.46) OPRD1PREPKMT2AF2ACE
SCHEMBL29591617 0.88 OPRD1 (0.44) OPRD1PREPKMT2AF2ACE
SCHEMBL24378516 0.87 OPRD1 (0.48) OPRD1PREPKMT2AF2EPHX2
SCHEMBL29731400 0.87 OPRD1 (0.48) OPRD1PREPKMT2AF2EPHX2

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-119019488-A Preparation method of chiral Fmoc-Gly-L-Pro-OH dipeptide 苏州正济医药研究有限公司 2024-11-26 — — CN disclosed
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