SCHEMBL5232202

SCHEMBL5232202

CNC1(C(C)=O)CN(c2ccc(-c3ccc4ccccc4c3)cc2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
USP2 O75604 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.38
ALOX12 P18054 1/20 0.38
HIF1A Q16665 1/20 0.38
AKR1C3 P42330 1/20 0.37

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 0.86 CYP2C19 (0.43) USP2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5236779 0.84 HDAC8 (0.39) USP2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5237974 0.84 RXRA (0.44) USP2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5235440 0.84 ALDH1A1 (0.40) USP2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5234836 0.84 MEN1 (0.43) RAB9AUSP2ALDH1A1HSD17B10CYP1A2
SCHEMBL5232372 0.83 ALDH1A1 (0.41) RAB9AUSP2ALDH1A1HSD17B10CYP1A2
SCHEMBL5232200 0.83 SLC6A7 (0.42) USP2ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5238500 0.82 KMT2A (0.44) RAB9AALDH1A1HSD17B10ALOX15KMT2A
SCHEMBL5236995 0.82 KMT2A (0.42) RAB9AALDH1A1HSD17B10ALOX15KMT2A
SCHEMBL5237657 0.81 KCNA5 (0.39) SMN1; SMN2

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