SCHEMBL9544862

SCHEMBL9544862

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
CTSL P07711 3/20 0.45
DPP4 P27487 2/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MPO P05164 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
CCKBR P32239 2/20 0.38
TACR1 P25103 2/20 0.37

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
SCHEMBL9545084 0.91 MAPT (0.47) MAPTALDH1A1RAB9ACTSLDPP4
SCHEMBL9542629 0.91 MAPT (0.47) MAPTALDH1A1RAB9ACTSLDPP4
SCHEMBL9543952 0.90 MAPT (0.45) MAPTALDH1A1RAB9ACTSLDPP4
SCHEMBL9543664 0.90 MAPT (0.45) MAPTALDH1A1RAB9ACTSLDPP4
SCHEMBL9543230 0.83 DPP4 (0.40) MAPTDPP4LMNAKDM4EMEN1
SCHEMBL9542526 0.79 DPP4 (0.47) MAPTDPP4LMNAKDM4EMEN1
SCHEMBL9543725 0.78 DPP4 (0.46) MAPTDPP4LMNAKDM4EMEN1
SCHEMBL27871523 0.78 MAPT (0.58) MAPTCTSLLMNAKDM4EMEN1
SCHEMBL27871519 0.76 TACR1 (0.51) MAPTCTSLLMNAKDM4EMEN1
SCHEMBL9544088 0.76 CTSL (0.64) MAPTCTSLCCKBR

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 1 patent. 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 disclosed