SCHEMBL3133541

SCHEMBL3133541

CCOC(=O)c1c(OCC)cc(CN2CCC(n3c(C)nc4cc(OC(=O)O)ccc43)CC2)cc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.50
USP2 O75604 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 2/20 0.41
GLA P06280 1/20 0.41
UBE2N P61088 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOA P21397 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KCNH2 Q12809 2/20 0.39
YEATS4 O95619 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 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
SCHEMBL3133924 0.90 USP2 (0.44) SSTR5USP2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3137260 0.90 USP2 (0.44) SSTR5USP2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3128617 0.90 SSTR5 (0.47) SSTR5USP2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3128606 0.90 ALDH1A1 (0.47) SSTR5USP2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3080388 0.88 L3MBTL1 (0.54) SSTR5USP2SMN1; SMN2MAPK1PKM
SCHEMBL3128281 0.88 USP2 (0.47) USP2ALDH1A1SMN1; SMN2MAPK1PKM
SCHEMBL3134311 0.87 SSTR5 (0.43) SSTR5USP2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3137920 0.87 ALDH1A1 (0.46) SSTR5USP2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3128667 0.87 SSTR5 (0.48) SSTR5USP2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3135069 0.86 SSTR5 (0.57) SSTR5ALDH1A1KCNH2

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-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP claimed