SCHEMBL9543952

SCHEMBL9543952

CC(C)(C)OC(=O)N(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](CCc1ccccc1)C(=O)N1CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
CTSL P07711 3/20 0.44
MC4R P32245 2/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MPO P05164 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
DPP4 P27487 1/20 0.40
ERAP1 Q9NZ08 1/20 0.38
TACR1 P25103 2/20 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
SCHEMBL9542629 0.94 MAPT (0.47) MAPTALDH1A1RAB9ACTSLMC4R
SCHEMBL9543664 0.91 MAPT (0.45) MAPTALDH1A1RAB9ACTSLKDM4E
SCHEMBL9545084 0.91 MAPT (0.47) MAPTALDH1A1RAB9ACTSLMC4R
SCHEMBL9544862 0.90 MAPT (0.47) MAPTALDH1A1RAB9ACTSLKDM4E
SCHEMBL9543725 0.88 DPP4 (0.46) MAPTMC4RMC5RMC3RKDM4E
SCHEMBL9542526 0.82 DPP4 (0.47) MAPTMC4RMC5RMC3RKDM4E
SCHEMBL27871523 0.78 MAPT (0.58) MAPTCTSLMC4RMC5RMC3R
SCHEMBL9544895 0.78 DPP4 (0.40) MAPTALDH1A1KDM4EMEN1LMNA
SCHEMBL9543961 0.77 CTSL (0.62) CTSL
SCHEMBL28784184 0.77 TACR1 (0.54) MAPTMC4RMC5RMC3RKDM4E

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