SCHEMBL9199526

SCHEMBL9199526

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.43
CNR2 P34972 2/20 0.43
NPY1R P25929 2/20 0.37
NPY2R P49146 1/20 0.37
NPY5R Q15761 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CASR P41180 1/20 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
SCHEMBL4651999 0.94 CNR1 (0.43) CNR1CNR2NPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL8120200 0.93 CNR1 (0.43) CNR1CNR2NPY1RNPY2RNPY5R
SCHEMBL9200838 0.92 CNR1 (0.42) CNR1CNR2NPY1RTDP1
SCHEMBL9195693 0.91 NPY1R (0.42) CNR1CNR2NPY1RNPY2RNPY5R
SCHEMBL9201122 0.90 TDP1 (0.48) CNR1TMEM97SIGMAR1LMNATDP1
SCHEMBL9196217 0.90 MEN1 (0.42) CNR1CNR2NPSR1TDP1CASR
SCHEMBL9275609 0.88 CYP2C9 (0.38) CNR1CNR2LMNAMAPTTDP1
SCHEMBL9195083 0.87 CNR1 (0.43) CNR1CNR2SIGMAR1NPSR1TDP1
SCHEMBL9194746 0.87 CNR1 (0.43) CNR1CNR2SIGMAR1NPSR1TDP1
SCHEMBL30905434 0.86 CNR1 (0.41) CNR1CNR2TDP1

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