SCHEMBL1389117

SCHEMBL1389117

N=C(N)NCCC[C@@H](N)C(=O)N(Cc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.41
▸ CNR2 P34972 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ NPY1R P25929 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ RNPEP Q9H4A4 1/20 0.36
▸ DNPEP Q9ULA0 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ NPY4R P50391 3/20 0.35
▸ NPY2R P49146 2/20 0.35
▸ NPY5R Q15761 2/20 0.35

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
SCHEMBL1388355 0.94 TDP1 (0.37) CNR1CNR2TDP1NPY1RMEN1
SCHEMBL9200886 0.93 TPSAB1 (0.39) CNR1TDP1NPY1RMEN1KMT2A
SCHEMBL9200988 0.93 CYP2C9 (0.38) CNR1TDP1NPY1RMEN1KMT2A
SCHEMBL9202531 0.91 MEN1 (0.38) CNR1NPY1RMEN1KMT2AF10
SCHEMBL4650866 0.91 NPY1R (0.42) CNR1CNR2NPY1RNPY4RNPY2R
SCHEMBL6901610 0.90 CNR1 (0.43) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL9203837 0.89 F2 (0.38) TDP1NPY1RMEN1KMT2AF10
SCHEMBL1388286 0.89 CNR1 (0.45) CNR1CNR2NPY1RF10PRSS1
SCHEMBL9271799 0.88 CNR1 (0.35) CNR1CNR2NPY1RF10PRSS1
SCHEMBL9276101 0.88 CNR1 (0.39) CNR1CNR2NPY1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08505862-A — — 1996-06-25 — — JP claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO claimed
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
Send feedback