SCHEMBL3138758

SCHEMBL3138758

CCOc1cc(CN2CCC(n3nnc4cc(OC(=O)O)ccc43)CC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.49
HRH1 P35367 2/20 0.49
SSTR1 P30872 1/20 0.49
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.47
KCNH2 Q12809 1/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 2/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTR2B P41595 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3128237 0.92 ALDH1A1 (0.49) SSTR5SSTR1ALDH1A1ALOX15HSD17B10
SCHEMBL3138171 0.90 ALDH1A1 (0.51) SSTR5HRH1ALDH1A1ALOX15HSD17B10
SCHEMBL3125839 0.90 MAPK1 (0.52) SSTR5ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL3141833 0.89 ALOX15 (0.50) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3135577 0.89 ALDH1A1 (0.52) SSTR5ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL3137243 0.88 ALOX15 (0.46) SSTR5ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL3089475 0.88 SSTR5 (0.59) SSTR5HRH1SSTR1ALDH1A1ALOX15
SCHEMBL3135556 0.88 ALOX15 (0.46) SSTR5ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL3132222 0.87 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10MAPTLMNA
SCHEMBL3133939 0.87 ALOX15 (0.45) SSTR5ALDH1A1ALOX15HSD17B10MAPT

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