SCHEMBL8383370

SCHEMBL8383370

NC(=O)C(N)[C@@H](S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
EPHX1 P07099 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
PARP1 P09874 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 2/20 0.41
SRC P12931 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL8382819 1.00 DPP4 (0.46) DPP4EPHX1TDP1L3MBTL1POLB
SCHEMBL8381130 1.00 DPP4 (0.46) DPP4EPHX1TDP1L3MBTL1POLB
SCHEMBL3502622 0.85 CYP2D6 (0.48) DPP4TDP1L3MBTL1CYP2C19CYP2D6
SCHEMBL8383523 0.85 CYP2D6 (0.48) DPP4TDP1L3MBTL1CYP2C19CYP2D6
SCHEMBL8382398 0.85 CYP2D6 (0.48) DPP4TDP1L3MBTL1CYP2C19CYP2D6
SCHEMBL3502623 0.85 CYP2D6 (0.48) DPP4TDP1L3MBTL1CYP2C19CYP2D6
SCHEMBL18165397 0.85 CYP2D6 (0.48) DPP4TDP1L3MBTL1CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL7386141 0.83 CYP2D6 (0.46) DPP4TDP1L3MBTL1CYP2D6SRC
SCHEMBL3611836 0.78 DPP4 (0.50) DPP4EPHX1CYP2D6SRCF2
SCHEMBL15577857 0.78 DPP4 (0.50) DPP4EPHX1CYP2D6SRCF2

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
EP-0425212-B1 Cyclic anti-aggregatory peptides SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP disclosed