SCHEMBL3130680

SCHEMBL3130680

C=CCOc1ccc(CN2CCC(n3c(C)nc4cc(OC(=O)O)ccc43)CC2)cc1OCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SSTR5 P35346 9/20 0.39
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
UBE2N P61088 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HRH1 P35367 2/20 0.38
HTR2B P41595 1/20 0.38
SSTR1 P30872 1/20 0.37
YEATS4 O95619 1/20 0.37
KCNH2 Q12809 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
SCHEMBL3095302 0.89 L3MBTL1 (0.50) USP2ALDH1A1KDM4ETDP1SSTR5
SCHEMBL3132300 0.89 KDM4E (0.41) USP2ALDH1A1KDM4ETDP1SSTR5
SCHEMBL3141839 0.89 NPC1 (0.47) USP2GLAMAPK1UBE2NNPSR1
SCHEMBL3130702 0.88 USP2 (0.42) USP2ALDH1A1KDM4ETDP1SSTR5
SCHEMBL3138195 0.87 ALDH1A1 (0.42) USP2ALDH1A1KDM4ETDP1SSTR5
SCHEMBL3138408 0.87 USP2 (0.43) USP2ALDH1A1KDM4ETDP1SSTR5
SCHEMBL3132253 0.87 SSTR5 (0.44) USP2ALDH1A1KDM4ETDP1SSTR5
SCHEMBL3137920 0.87 ALDH1A1 (0.46) USP2ALDH1A1KDM4ETDP1SSTR5
SCHEMBL3128667 0.87 SSTR5 (0.48) USP2ALDH1A1KDM4ETDP1SSTR5
SCHEMBL3130756 0.86 ALOX15 (0.44) USP2ALDH1A1KDM4ETDP1SSTR5

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