SCHEMBL4429915

SCHEMBL4429915

NC1=NCC(COc2ccc(CCc3ccccc3)cc2)O1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.44
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 1/20 0.39

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
SCHEMBL8968056 0.89 TDP1 (0.54) GRM2TDP1NPC1RAB9A
SCHEMBL1513569 0.86 TDP1 (0.45) GRM2TDP1NPC1RAB9ALTA4H
SCHEMBL1513567 0.86 TDP1 (0.45) GRM2TDP1NPC1RAB9ALTA4H
SCHEMBL7831157 0.83 GRM2 (0.52) GRM2TDP1
SCHEMBL3139586 0.81 MEN1 (0.64) GRM2TDP1
SCHEMBL3144448 0.81 GRM2 (0.49) GRM2TDP1NPC1RAB9A
SCHEMBL1513808 0.80 TSHR (0.41) GRM2TDP1
SCHEMBL1513582 0.80 TSHR (0.41) GRM2TDP1
SCHEMBL3144268 0.80 ALOX5 (0.39) GRM2TDP1LTA4H
SCHEMBL3135510 0.80 GRM2 (0.50) GRM2NPC1RAB9ALTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137193-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2008112483-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-18 WO disclosed