SCHEMBL3132253

SCHEMBL3132253

CCOc1cc(CN2CCC(n3c(C)nc4cc(OC(=O)O)ccc43)CC2)ccc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.44
USP2 O75604 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
YEATS4 O95619 1/20 0.39
KCNH2 Q12809 1/20 0.39
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
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ENPP2 Q13822 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
SCHEMBL3138363 0.91 ALDH1A1 (0.47) SSTR5USP2L3MBTL1ALDH1A1LMNA
SCHEMBL3138408 0.89 USP2 (0.43) SSTR5USP2ALDH1A1PKMSMN1; SMN2
SCHEMBL3098032 0.89 L3MBTL1 (0.55) SSTR5USP2L3MBTL1YEATS4KCNH2
SCHEMBL3130702 0.89 USP2 (0.42) SSTR5USP2L3MBTL1ALDH1A1YEATS4
SCHEMBL3138195 0.88 ALDH1A1 (0.42) SSTR5USP2L3MBTL1ALDH1A1YEATS4
SCHEMBL3132300 0.88 KDM4E (0.41) SSTR5USP2L3MBTL1ALDH1A1YEATS4
SCHEMBL3141839 0.88 NPC1 (0.47) USP2GLAMAPK1UBE2NNPSR1
SCHEMBL3137920 0.87 ALDH1A1 (0.46) SSTR5USP2L3MBTL1ALDH1A1PKM
SCHEMBL3128667 0.87 SSTR5 (0.48) SSTR5USP2ALDH1A1LMNAKCNH2
SCHEMBL3130680 0.87 USP2 (0.41) SSTR5USP2ALDH1A1YEATS4KCNH2

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