SCHEMBL7370894

SCHEMBL7370894

CC(C)(C)NC(=O)C(N)Cc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
CTSC P53634 2/20 0.49
SLC15A1 P46059 1/20 0.49
LTA4H P09960 2/20 0.47
LMNA P02545 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
OPRK1 P41145 4/20 0.45
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7370891 1.00 SLC7A5 (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12234221 0.94 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22369889 0.94 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7370971 0.85 FFAR1 (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5832735 0.84 LTA4H (0.61) LTA4HMAPT
SCHEMBL2860639 0.84 LTA4H (0.61) LTA4HMAPT
SCHEMBL8188747 0.83 CSK (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12234239 0.83 SLC7A5 (0.57) SLC7A5
Hydrochloric Acid SCHEMBL5832756 0.83 LTA4H (0.60) LTA4H
Hydrochloric Acid SCHEMBL5832752 0.83 LTA4H (0.60) LTA4H

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed