SCHEMBL9200838

SCHEMBL9200838

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.42
CNR2 P34972 3/20 0.42
SOAT1 P35610 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TPSAB1 Q15661 1/20 0.35
NPY1R P25929 2/20 0.35
C3AR1 Q16581 1/20 0.34
EPOR P19235 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
SCHEMBL4651831 0.94 CNR1 (0.42) CNR1CNR2SOAT1TDP1MEN1
SCHEMBL9195693 0.93 NPY1R (0.42) CNR1CNR2TDP1NPY1R
Hydrochloric Acid SCHEMBL8120910 0.93 CNR1 (0.41) CNR1CNR2SOAT1TDP1MEN1
SCHEMBL9201122 0.92 TDP1 (0.48) CNR1TDP1MEN1KMT2A
SCHEMBL9196217 0.92 MEN1 (0.42) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL9199526 0.92 CNR1 (0.43) CNR1CNR2TDP1NPY1R
SCHEMBL9275609 0.90 CYP2C9 (0.38) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL9195083 0.89 CNR1 (0.43) CNR1CNR2TDP1KMT2A
SCHEMBL9194746 0.89 CNR1 (0.43) CNR1CNR2TDP1KMT2A
SCHEMBL1389118 0.88 CNR1 (0.41) CNR1CNR2TDP1MEN1KMT2A

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