SCHEMBL3132300

SCHEMBL3132300

CCOc1cc(CN2CCC(n3c(C)nc4cc(OC(=O)O)ccc43)CC2)ccc1OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SSTR5 P35346 4/20 0.40
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
UBE2N P61088 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MCHR1 Q99705 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
YEATS4 O95619 1/20 0.38
KCNH2 Q12809 1/20 0.38
S1PR1 P21453 1/20 0.38
AKT1 P31749 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3130955 0.93 SSTR5 (0.47) KDM4EUSP2ALDH1A1SSTR5PKM
SCHEMBL3130702 0.92 USP2 (0.42) KDM4EUSP2ALDH1A1SSTR5PKM
SCHEMBL3138195 0.89 ALDH1A1 (0.42) KDM4EUSP2ALDH1A1SSTR5PKM
SCHEMBL3141839 0.89 NPC1 (0.47) USP2GLAMAPK1UBE2NNPSR1
SCHEMBL3138408 0.89 USP2 (0.43) KDM4EUSP2ALDH1A1SSTR5PKM
SCHEMBL3085460 0.89 L3MBTL1 (0.51) KDM4EUSP2ALDH1A1SSTR5PKM
SCHEMBL3130680 0.89 USP2 (0.41) KDM4EUSP2ALDH1A1SSTR5PKM
SCHEMBL3132253 0.88 SSTR5 (0.44) KDM4EUSP2ALDH1A1SSTR5PKM
SCHEMBL3137920 0.87 ALDH1A1 (0.46) KDM4EUSP2ALDH1A1SSTR5PKM
SCHEMBL3128667 0.87 SSTR5 (0.48) KDM4EUSP2ALDH1A1SSTR5PKM

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