SCHEMBL9544895

SCHEMBL9544895

CCCC[C@@H](C(=O)N1c2ccccc2C[C@H]1C(=O)O)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MPO P05164 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
ACE P12821 2/20 0.38
CCKBR P32239 1/20 0.38

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
SCHEMBL9543664 0.85 MAPT (0.45) DPP4KDM4EALDH1A1BCHEMEN1
SCHEMBL9543230 0.81 DPP4 (0.40) DPP4KDM4EMEN1LMNAMPO
SCHEMBL9543952 0.78 MAPT (0.45) DPP4KDM4EALDH1A1MEN1LMNA
SCHEMBL9544907 0.78 CCKBR (0.56) MEN1MAPTKMT2ACCKBR
SCHEMBL27871523 0.77 MAPT (0.58) KDM4EMEN1LMNAMPOMAPT
SCHEMBL9542629 0.76 MAPT (0.47) DPP4KDM4EALDH1A1MEN1LMNA
SCHEMBL9545084 0.76 MAPT (0.47) DPP4KDM4EALDH1A1MEN1LMNA
SCHEMBL9543725 0.75 DPP4 (0.46) DPP4KDM4EBCHEMEN1LMNA
SCHEMBL9544862 0.75 MAPT (0.47) DPP4KDM4EALDH1A1MEN1LMNA
SCHEMBL9544199 0.74 KLK7 (0.35) DPP4CCKBR

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