SCHEMBL8450197

SCHEMBL8450197

CN(C[C@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.42
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
KCNH2 Q12809 2/20 0.36
CYP26A1 O43174 1/20 0.36
CYP2D6 P10635 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CASP1 P29466 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL8449555 0.90 UTS2R (0.38) UTS2RMEN1LMNAKMT2ACTSL
SCHEMBL8450818 0.89 MME (0.40) MEN1LMNAKMT2ACTSLCTSB
SCHEMBL8450113 0.84 MME (0.43) UTS2RCTSB
SCHEMBL7569398 0.82 MME (0.53) CTSLCTSBCTSS
SCHEMBL7569388 0.82 MME (0.53) CTSLCTSBCTSS
SCHEMBL8450193 0.81 TACR1 (0.52) CTSLCTSBCTSSCASP1
SCHEMBL8446482 0.80 MME (0.49) UTS2RCTSBSLC6A2SLC6A4SLC6A3
SCHEMBL8450247 0.79 MME (0.47) CTSLCTSB
SCHEMBL8447133 0.79 MME (0.42) UTS2RCTSBCYP2D6
SCHEMBL8453092 0.79 MME (0.43) CTSB

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
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed