SCHEMBL3138408

SCHEMBL3138408

CCOc1cc(CN2CCC(n3c(C)nc4cc(OC(=O)O)ccc43)CC2)ccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.43
ALDH1A1 P00352 2/20 0.42
SSTR5 P35346 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 3/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
UBE2N P61088 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
PDE7A Q13946 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3130702 0.94 USP2 (0.42) USP2ALDH1A1SSTR5NPSR1MAPK1
SCHEMBL3138195 0.92 ALDH1A1 (0.42) USP2ALDH1A1SSTR5NPSR1MAPK1
SCHEMBL3132253 0.89 SSTR5 (0.44) USP2ALDH1A1SSTR5NPSR1MAPK1
SCHEMBL3132300 0.89 KDM4E (0.41) USP2ALDH1A1SSTR5NPSR1MAPK1
SCHEMBL3095334 0.89 L3MBTL1 (0.51) USP2ALDH1A1SSTR5NPSR1MAPK1
SCHEMBL3137920 0.89 ALDH1A1 (0.46) USP2ALDH1A1SSTR5NPSR1MAPK1
SCHEMBL3141839 0.88 NPC1 (0.47) USP2NPSR1MAPK1GLAUBE2N
SCHEMBL3128667 0.87 SSTR5 (0.48) USP2ALDH1A1SSTR5NPSR1MAPK1
SCHEMBL3128606 0.87 ALDH1A1 (0.47) USP2ALDH1A1SSTR5NPSR1MAPK1
SCHEMBL3130680 0.87 USP2 (0.41) USP2ALDH1A1SSTR5NPSR1MAPK1

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