SCHEMBL3130702

SCHEMBL3130702

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
UBE2N P61088 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCHR1 Q99705 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SSTR5 P35346 2/20 0.39
YEATS4 O95619 1/20 0.38
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
AKT1 P31749 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
SCHEMBL3138195 0.94 ALDH1A1 (0.42) USP2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3138408 0.94 USP2 (0.43) USP2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3132300 0.92 KDM4E (0.41) USP2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3138202 0.90 ALDH1A1 (0.48) USP2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3094519 0.90 L3MBTL1 (0.52) USP2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3132253 0.89 SSTR5 (0.44) USP2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3141839 0.89 NPC1 (0.47) USP2NPSR1GLAMAPK1UBE2N
SCHEMBL3137920 0.89 ALDH1A1 (0.46) USP2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3128667 0.89 SSTR5 (0.48) USP2ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3130680 0.88 USP2 (0.41) USP2ALDH1A1KDM4EPKMSMN1; SMN2

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