SCHEMBL9543725

SCHEMBL9543725

CC(C)(C)OC(=O)N(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@H](CCc1ccccc1)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
HDAC8 Q9BY41 1/20 0.43
MC4R P32245 2/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MPO P05164 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
BCHE P06276 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL9542526 0.94 DPP4 (0.47) DPP4HDAC8MC4RMC5RMC3R
SCHEMBL9543952 0.88 MAPT (0.45) DPP4MC4RMC5RMC3RMEN1
SCHEMBL9542629 0.82 MAPT (0.47) DPP4MC4RMC5RMC3RMEN1
SCHEMBL9543664 0.80 MAPT (0.45) DPP4MEN1KMT2AKDM4ELMNA
SCHEMBL9545084 0.79 MAPT (0.47) DPP4MC4RMC5RMC3RMEN1
SCHEMBL27871523 0.78 MAPT (0.58) MC4RMC5RMC3RMEN1KMT2A
SCHEMBL9544862 0.78 MAPT (0.47) DPP4MEN1KMT2AKDM4ELMNA
SCHEMBL9543730 0.77 CTSL (0.55) MEN1KMT2A
SCHEMBL28784184 0.77 TACR1 (0.54) MC4RMC5RMC3RMEN1KMT2A
SCHEMBL5022639 0.77 DPP4 (0.63) DPP4HDAC8MEN1KMT2AKDM4E

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed