SCHEMBL4599679

SCHEMBL4599679

Cn1c(Cn2c(C(=O)O)cc3cc(F)ccc32)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CCR2 P41597 4/20 0.52
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
GRM2 Q14416 2/20 0.43
DRD4 P21917 1/20 0.43
AKR1B1 P15121 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 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
SCHEMBL3622285 0.86 NOD2 (0.51) ALDH1A1KDM4EHSD17B10GAANPC1
SCHEMBL15362048 0.79 RAB9A (0.43) HDAC6GAANPC1RAB9ATSHR
SCHEMBL4613716 0.77 CCR2 (0.54) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL15361967 0.76 CCR2 (0.53) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL4600655 0.76 PTGDR2 (0.60) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL4600229 0.74 CCR2 (0.56) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL12466547 0.74 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL4599865 0.74 CCR2 (0.55) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL7378692 0.74 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10CCR2
SCHEMBL4599814 0.74 CCR2 (0.55) ALDH1A1KDM4EHPGDHSD17B10CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP claimed
EP-1910335-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-16 EP claimed
WO-2007010144-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 WO claimed