SCHEMBL5239479

SCHEMBL5239479

CNC1(C(C)=O)CN(c2ccc(-c3cccc(OC)c3F)cc2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.41
FGFR2 P21802 4/20 0.41
DHODH Q02127 2/20 0.36
HSD17B10 Q99714 5/20 0.36
USP2 O75604 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 3/20 0.36
FFAR2 O15552 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C9 P11712 2/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DYRK1A Q13627 1/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL5236699 0.83 CD274 (0.41) HSD17B10USP2ALDH1A1CYP3A4CYP1A2
SCHEMBL5234836 0.83 MEN1 (0.43) HSD17B10USP2ALDH1A1CYP3A4CYP1A2
SCHEMBL5232177 0.82 MAPT (0.42) HSD17B10USP2ALDH1A1ALOX15DRD2
SCHEMBL5239486 0.82 FGFR1 (0.41) FGFR1FGFR2DHODHHSD17B10USP2
SCHEMBL5232288 0.81 MAPT (0.41) USP2ALDH1A1MAPK1ALOX15MAPT
SCHEMBL5236779 0.81 HDAC8 (0.39) HSD17B10USP2ALDH1A1CYP3A4CYP1A2
SCHEMBL5236205 0.80 RXRA (0.41) DHODHALDH1A1FFAR2MAPTNPSR1
SCHEMBL5236546 0.80 USP2 (0.46) HSD17B10USP2ALDH1A1CYP3A4CYP1A2
SCHEMBL5240792 0.80 NAAA (0.42) FGFR1HSD17B10USP2ALDH1A1CYP3A4
SCHEMBL5233064 0.79 L3MBTL1 (0.48) ALDH1A1MAPK1MAPTSMN1; SMN2GAA

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-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed