SCHEMBL9203091

SCHEMBL9203091

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.37
▸ MC5R P33032 3/20 0.32
▸ MC3R P41968 3/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ NOS1 P29475 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
SCHEMBL9203124 1.00 MC4R (0.37) MC4RMC5RMC3RMMP2NOS1
SCHEMBL9195613 0.91 MC4R (0.37) MC4RMC5RMC3RMMP2NOS1
SCHEMBL9195595 0.91 MC4R (0.37) MC4RMC5RMC3RMMP2NOS1
SCHEMBL9199883 0.90 MC4R (0.37) MC4RMC5RMC3RMMP2NOS1
SCHEMBL9200382 0.88 MC4R (0.38) MC4RMC5RMC3R
SCHEMBL9197220 0.88 MC4R (0.38) MC4RMC5RMC3R
SCHEMBL9199354 0.86 ALDH1A1 (0.37) MC4R
SCHEMBL9287552 0.80 TAAR1 (0.36) MC4R
SCHEMBL9287538 0.80 TAAR1 (0.36) MC4R
SCHEMBL9203109 0.79 MC4R (0.32) MC4R

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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