SCHEMBL1388286

SCHEMBL1388286

N=C(N)NCCC[C@@H](N)C(=O)N(CCc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.45
▸ CNR2 P34972 2/20 0.41
▸ F10 P00742 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ EPHX2 P34913 4/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ GAA P10253 1/20 0.37

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 0.89 CNR1 (0.41) CNR1CNR2F10PRSS1NPY1R
SCHEMBL9268570 0.89 CNR1 (0.41) CNR1CNR2EPHX2NPY1R
SCHEMBL9276101 0.86 CNR1 (0.39) CNR1CNR2EPHX2NPY1R
SCHEMBL9195777 0.84 CNR1 (0.32) CNR1NPY1R
SCHEMBL1388355 0.83 TDP1 (0.37) CNR1CNR2NPY1R
SCHEMBL9202531 0.83 MEN1 (0.38) CNR1F10PRSS1NPY1R
SCHEMBL9200886 0.82 TPSAB1 (0.39) CNR1NPY1R
SCHEMBL9200988 0.82 CYP2C9 (0.38) CNR1F10EPHX2NPY1RGAA
SCHEMBL4650866 0.81 NPY1R (0.42) CNR1CNR2NPY1R
SCHEMBL1388287 0.81 CNR1 (0.45) CNR1CNR2F10PRSS1EPHX2

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
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