SCHEMBL8358632

SCHEMBL8358632

CNCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)Oc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.49
LNPEP Q9UIQ6 2/20 0.45
KISS1R Q969F8 2/20 0.44
NPY4R P50391 5/20 0.44
NPY1R P25929 3/20 0.44
OPRK1 P41145 2/20 0.43
OPRM1 P35372 4/20 0.42
ERAP2 Q6P179 1/20 0.42
NPY2R P49146 2/20 0.42
NPY5R Q15761 2/20 0.42

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
SCHEMBL8362723 0.85 LNPEP (0.46) LNPEPOPRK1ERAP2
SCHEMBL7860762 0.82 LNPEP (0.47) LNPEPOPRK1ERAP2
Trifluoroacetic Acid SCHEMBL7860829 0.79 LNPEP (0.44) LNPEPOPRK1ERAP2
SCHEMBL8515919 0.76 OPRD1 (0.40) OPRD1KISS1ROPRK1
SCHEMBL7860804 0.75 MMP2 (0.47)
SCHEMBL7850357 0.74 MMP2 (0.51) LNPEPOPRK1ERAP2
SCHEMBL7859103 0.74 LNPEP (0.52) LNPEPERAP2
SCHEMBL30519188 0.73 OPRD1 (0.65) OPRD1OPRK1OPRM1
Trifluoroacetic Acid SCHEMBL7859146 0.72 LNPEP (0.48) LNPEPERAP2
SCHEMBL25495974 0.71 IDE (0.38) LNPEPERAP2

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-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed