SCHEMBL8122834

SCHEMBL8122834

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.37
▸ MGLL Q99685 2/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL8121919 0.86 NPY1R (0.35) F2ADAM17
SCHEMBL8126685 0.82 F2 (0.40) F2MGLLADAM17KMT2A
SCHEMBL8120727 0.81 F2 (0.39) F2
SCHEMBL9271189 0.80 NPY1R (0.37) F2ADAM17
SCHEMBL8121207 0.77 NPY1R (0.35) F2ADAM17
SCHEMBL9196848 0.76 EPOR (0.32) —
SCHEMBL8112864 0.74 F2 (0.36) F2ADAM17KMT2A
SCHEMBL8126120 0.73 CA12 (0.36) F2ADAM17KMT2A
SCHEMBL8112880 0.73 CA1 (0.34) F2
SCHEMBL8120451 0.73 F2 (0.36) F2ADAM17KMT2A

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 3 patents. 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
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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