SCHEMBL5236995

SCHEMBL5236995

CCOc1ccc(-c2ccc(N3CCN(C(=O)O)C(NC)(C(C)=O)C3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 10/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
ACACB O00763 6/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BACE1 P56817 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5233064 0.84 L3MBTL1 (0.48) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL5237657 0.84 KCNA5 (0.39) TP53SMN1; SMN2
SCHEMBL5234836 0.83 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1ALOX15
SCHEMBL5235440 0.83 ALDH1A1 (0.40) KMT2AMEN1MAPTALDH1A1ALOX15
SCHEMBL5232372 0.82 ALDH1A1 (0.41) KMT2AMEN1MAPTALDH1A1ALOX15
SCHEMBL5232202 0.82 RAB9A (0.40) KMT2AMEN1MAPTALDH1A1ALOX15
SCHEMBL5236998 0.81 KMT2A (0.40) KMT2AMEN1MAPTALDH1A1ALOX15
SCHEMBL5238186 0.80 CYP2C19 (0.43) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL5235107 0.80 MAPT (0.45) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL5239092 0.79 MEN1 (0.41) KMT2AMEN1MAPTALDH1A1LMNA

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