SCHEMBL8121919

SCHEMBL8121919

CN(Cc1ccc(O)cc1)[C@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 6/20 0.35
▸ F2 P00734 1/20 0.35
▸ ADAM17 P78536 1/20 0.33
▸ NPY4R P50391 7/20 0.32
▸ NPY2R P49146 5/20 0.32
▸ NPY5R Q15761 5/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL9271189 0.93 NPY1R (0.37) NPY1RF2ADAM17TMEM97SIGMAR1
SCHEMBL8121207 0.90 NPY1R (0.35) NPY1RF2ADAM17NPY4RNPY2R
SCHEMBL8122834 0.86 F2 (0.37) F2ADAM17
SCHEMBL8120806 0.84 ADAM17 (0.36) NPY1RF2ADAM17NPY4RNPY2R
SCHEMBL8112864 0.83 F2 (0.36) NPY1RF2ADAM17
SCHEMBL8121913 0.82 NPY4R (0.35) NPY1RF2ADAM17NPY4RNPY2R
SCHEMBL8123419 0.82 TRPV1 (0.37) NPY1RF2NPY2RNPY5R
SCHEMBL8124247 0.81 NPY1R (0.42) NPY1RF2NPY4RNPY5R
Hydrochloric Acid SCHEMBL8119516 0.81 NPY1R (0.39) NPY1RF2NPY4RNPY5R
SCHEMBL8125832 0.80 F2 (0.36) NPY1RF2

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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