SCHEMBL9200886

SCHEMBL9200886

N=C(N)NCCC[C@@H](N)C(=O)N(Cc1ccc(C(=O)O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPY1R P25929 4/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPY4R P50391 4/20 0.35
▸ NPY2R P49146 2/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ TAS2R14 Q9NYV8 2/20 0.34
▸ LTA4H P09960 1/20 0.33

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
SCHEMBL1389117 0.93 CNR1 (0.41) TDP1NPY1RCNR1MEN1KMT2A
SCHEMBL1388355 0.91 TDP1 (0.37) TPSAB1TDP1NPY1RCNR1MEN1
SCHEMBL9203837 0.91 F2 (0.38) TPSAB1TDP1NPY1RMEN1KMT2A
SCHEMBL4650866 0.88 NPY1R (0.42) NPY1RCNR1NPY4RNPY2RNPY5R
SCHEMBL9200988 0.88 CYP2C9 (0.38) TDP1NPY1RCNR1MEN1KMT2A
SCHEMBL6901610 0.87 CNR1 (0.43) TDP1CNR1MEN1KMT2ATAS2R14
SCHEMBL9276101 0.85 CNR1 (0.39) TPSAB1NPY1RCNR1
SCHEMBL9202531 0.84 MEN1 (0.38) NPY1RCNR1MEN1KMT2ANPY4R
SCHEMBL9271799 0.83 CNR1 (0.35) NPY1RCNR1NPY4RNPY2RNPY5R
SCHEMBL1388286 0.82 CNR1 (0.45) NPY1RCNR1

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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