SCHEMBL5236271

SCHEMBL5236271

CNC1(CC=O)CN(c2ccc(-c3ccc(OCc4ccccc4)c(F)c3)cc2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
S1PR5 Q9H228 1/20 0.37
GRM2 Q14416 1/20 0.36
CTSA P10619 1/20 0.36
HTR6 P50406 2/20 0.35
FFAR1 O14842 3/20 0.35
PPARD Q03181 2/20 0.35
LRRK2 Q5S007 5/20 0.35
MAPK1 P28482 3/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
ESR2 Q92731 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MRGPRX4 Q96LA9 1/20 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
SCHEMBL5236705 0.88 CD274 (0.41) ERN1MAPTALDH1A1HTR6FFAR1
SCHEMBL5236214 0.86 RXRA (0.39) ERN1MAPTKDM4EALDH1A1GAA
SCHEMBL5236266 0.84 MAPT (0.41) ERN1MAPTKDM4EALDH1A1GAA
SCHEMBL5236555 0.83 USP2 (0.41) MAPTALDH1A1GAAMAPK1KMT2A
SCHEMBL5238192 0.79 CYP2C19 (0.37) MAPTALDH1A1MAPK1KMT2AUSP2
SCHEMBL5237752 0.79 RXRA (0.44) MAPTALDH1A1TDP1FFAR1MAPK1
SCHEMBL5238652 0.78 HSD17B10 (0.44) ALDH1A1MAPK1KMT2AUSP2MEN1
SCHEMBL5240799 0.78 NAAA (0.40) MAPTALDH1A1MAPK1KMT2AUSP2
SCHEMBL5236998 0.78 KMT2A (0.40) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL5232205 0.78 SLC6A7 (0.41) MAPTKDM4EALDH1A1GAAS1PR5

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