SCHEMBL9195602

SCHEMBL9195602

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 2/20 0.32
▸ MC4R P32245 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.31
▸ CA2 P00918 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
Hydrochloric Acid SCHEMBL9200344 0.99 EPOR (0.32) EPORMC4RSLC7A5CA2
SCHEMBL9203109 0.91 MC4R (0.32) EPORMC4R
SCHEMBL9199892 0.90 NR1D1 (0.36) MC4R
SCHEMBL9197230 0.89 MC4R (0.31) MC4R
SCHEMBL9200360 0.88 PYCR1 (0.33) EPORMC4R
SCHEMBL9199338 0.85 EPOR (0.39) EPOR
SCHEMBL9196848 0.85 EPOR (0.32) EPOR
SCHEMBL9196672 0.83 MC4R (0.33) EPORMC4R
SCHEMBL9196659 0.83 MC4R (0.33) EPORMC4R
SCHEMBL8528250 0.83 CA2 (0.35) CA2

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 4 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
EP-0673375-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1995-09-27 — — 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
WO-1994013659-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1994-06-23 — — WO disclosed
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