SCHEMBL8529309

SCHEMBL8529309

COC(=O)CCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
F2 P00734 7/20 0.36
F10 P00742 5/20 0.36
PRSS1 P07477 5/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PTPN1 P18031 2/20 0.34
PLG P00747 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8528680 0.91 TDP1 (0.36) CNR1F2F10PRSS1ITGB3
SCHEMBL6901612 0.88 CNR1 (0.43) CNR1ITGB3ITGA2BTDP1KMT2A
SCHEMBL6900316 0.88 CNR1 (0.40) CNR1F10PRSS1TDP1KMT2A
SCHEMBL1389118 0.88 CNR1 (0.41) CNR1F10PRSS1TDP1KMT2A
SCHEMBL30905434 0.88 CNR1 (0.41) CNR1F10PRSS1TDP1KMT2A
SCHEMBL8121296 0.87 F2 (0.38) F2F10PRSS1ITGB3ITGA2B
SCHEMBL8527214 0.87 CNR1 (0.39) CNR1F10PRSS1TDP1KMT2A
SCHEMBL7751753 0.87 CNR1 (0.41) CNR1F10PRSS1TDP1KMT2A
SCHEMBL7750689 0.87 MEN1 (0.42) CNR1F2F10PRSS1ITGB3
SCHEMBL4651831 0.87 CNR1 (0.42) CNR1TDP1KMT2AMEN1

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed