SCHEMBL5236546

SCHEMBL5236546

CNC1(C(C)=O)CN(c2ccc(-c3ccccc3)cc2)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 10/20 0.46
HSD17B10 Q99714 8/20 0.46
ALDH1A1 P00352 8/20 0.46
CYP3A4 P08684 8/20 0.46
CYP1A2 P05177 7/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
CYP2C9 P11712 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
HPGD P15428 4/20 0.46
CYP2C19 P33261 3/20 0.46
ALOX15 P16050 3/20 0.46
MAPK1 P28482 3/20 0.45
ALOX12 P18054 1/20 0.45
HIF1A Q16665 2/20 0.44
SLC6A7 Q99884 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5238186 0.92 CYP2C19 (0.43) USP2HSD17B10ALDH1A1CYP3A4CYP1A2
SCHEMBL5232202 0.91 RAB9A (0.40) USP2HSD17B10ALDH1A1CYP3A4CYP1A2
SCHEMBL5235440 0.90 ALDH1A1 (0.40) USP2HSD17B10ALDH1A1CYP3A4CYP1A2
SCHEMBL5234836 0.90 MEN1 (0.43) USP2HSD17B10ALDH1A1CYP3A4CYP1A2
SCHEMBL5232372 0.89 ALDH1A1 (0.41) USP2HSD17B10ALDH1A1CYP3A4CYP1A2
SCHEMBL5237974 0.88 RXRA (0.44) USP2HSD17B10ALDH1A1CYP3A4CYP1A2
SCHEMBL5239779 0.87 MAPT (0.40) ALDH1A1MEN1KMT2ACYP2C9SMN1; SMN2
SCHEMBL5240792 0.87 NAAA (0.42) USP2HSD17B10ALDH1A1CYP3A4CYP1A2
SCHEMBL5232200 0.86 SLC6A7 (0.42) USP2HSD17B10ALDH1A1CYP3A4CYP1A2
SCHEMBL5235107 0.86 MAPT (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2POLB

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