SCHEMBL8892785

SCHEMBL8892785

N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C]=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.59
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
TSHR P16473 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
CTSL P07711 1/20 0.55
OPRM1 P35372 2/20 0.54
OPRD1 P41143 2/20 0.54
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL2192888 0.97 KDM4E (0.60) CTSCKDM4EMEN1MAPTTSHR
SCHEMBL8397051 0.97 KDM4E (0.60) CTSCKDM4EMEN1MAPTTSHR
SCHEMBL8397046 0.97 KDM4E (0.60) CTSCKDM4EMEN1MAPTTSHR
SCHEMBL27871540 0.93 CTSC (0.64) CTSCKDM4EMEN1MAPTTSHR
SCHEMBL11382333 0.92 OPRM1 (0.59) CTSCKDM4EMEN1MAPTTSHR
SCHEMBL11765780 0.92 OPRM1 (0.59) CTSCKDM4EMEN1MAPTTSHR
SCHEMBL11382901 0.92 OPRM1 (0.59) CTSCKDM4EMEN1MAPTTSHR
SCHEMBL9057338 0.92 KDM4E (0.55) CTSCKDM4EMEN1MAPTTSHR
SCHEMBL9118550 0.88 CTSC (0.61) CTSCKDM4EMEN1MAPTTSHR
SCHEMBL1652435 0.88 ACE (0.53) CTSCECE1

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-5624894-A Brain-enhanced delivery of neuroactive peptides by sequential metabolism UNIVERSITY OF FLORIDA (US) 1997-04-29 US disclosed