SCHEMBL9201022

SCHEMBL9201022

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.41
CNR2 P34972 5/20 0.41
TPSAB1 Q15661 1/20 0.37
EPHX2 P34913 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
C3AR1 Q16581 1/20 0.36

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
SCHEMBL9199950 0.90 CNR1 (0.36) CNR1CNR2C3AR1
SCHEMBL9276105 0.90 CNR1 (0.39) CNR1CNR2TPSAB1EPHX2MTNR1A
SCHEMBL9202871 0.89 CNR1 (0.35) CNR1CNR2C3AR1
SCHEMBL1388287 0.89 CNR1 (0.45) CNR1CNR2EPHX2
SCHEMBL9202436 0.88 CNR1 (0.34) CNR1CNR2C3AR1
SCHEMBL8069355 0.88 CNR1 (0.47) CNR1CNR2EPHX2
SCHEMBL1389118 0.87 CNR1 (0.41) CNR1CNR2TPSAB1
SCHEMBL30905434 0.87 CNR1 (0.41) CNR1CNR2TPSAB1
SCHEMBL1718512 0.86 NPY1R (0.42) CNR1CNR2
SCHEMBL8059066 0.85 CNR1 (0.47) CNR1CNR2

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