SCHEMBL9203109

SCHEMBL9203109

NCCC[C@H](C(N)=O)N(Cc1ccc(CO)cc1)C(N)=N[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.32
▸ EPOR P19235 1/20 0.30

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
SCHEMBL9196672 0.92 MC4R (0.33) MC4REPOR
SCHEMBL9196659 0.92 MC4R (0.33) MC4REPOR
SCHEMBL9195602 0.91 EPOR (0.32) MC4REPOR
SCHEMBL9199892 0.90 NR1D1 (0.36) MC4R
Hydrochloric Acid SCHEMBL9200344 0.90 EPOR (0.32) MC4REPOR
SCHEMBL9197230 0.89 MC4R (0.31) MC4R
SCHEMBL9200360 0.88 PYCR1 (0.33) MC4REPOR
SCHEMBL9199338 0.85 EPOR (0.39) EPOR
SCHEMBL9196848 0.83 EPOR (0.32) EPOR
Hydrochloric Acid SCHEMBL9203421 0.81 — —

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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