SCHEMBL9271189

SCHEMBL9271189

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.37
▸ F2 P00734 2/20 0.36
▸ FOLH1 Q04609 2/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ PLG P00747 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32
▸ ACKR3 P25106 1/20 0.32

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
SCHEMBL8121919 0.93 NPY1R (0.35) NPY1RF2TMEM97SIGMAR1MTOR
SCHEMBL8121207 0.85 NPY1R (0.35) NPY1RF2TMEM97SIGMAR1ADAM17
SCHEMBL8121913 0.82 NPY4R (0.35) NPY1RF2MTORADAM17
SCHEMBL8122834 0.80 F2 (0.37) F2ADAM17
SCHEMBL8120806 0.79 ADAM17 (0.36) NPY1RF2ADAM17
SCHEMBL8123419 0.79 TRPV1 (0.37) NPY1RF2PLGPRSS1
Hydrochloric Acid SCHEMBL8119516 0.78 NPY1R (0.39) NPY1RF2
SCHEMBL8124247 0.78 NPY1R (0.42) NPY1RF2
SCHEMBL8112864 0.78 F2 (0.36) NPY1RF2ADAM17
SCHEMBL8125832 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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