SCHEMBL3134355

SCHEMBL3134355

O=C(O)c1ccc2c(c1)[nH]c(=O)n2C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.46
PLD2 O14939 8/20 0.46
PLD1 Q13393 8/20 0.46
HSD11B1 P28845 4/20 0.45
YEATS4 O95619 1/20 0.45
KCNH2 Q12809 1/20 0.45
CHRM1 P11229 1/20 0.44
AKT1 P31749 2/20 0.44
AKT2 P31751 2/20 0.44
AKT3 Q9Y243 1/20 0.44
AURKA O14965 1/20 0.44
DRD2 P14416 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
SCHEMBL4434705 0.88 USP2 (0.57) USP2ALDH1A1LMNASIRT2PLD2
SCHEMBL13153966 0.85 ALDH1A1 (0.57) USP2ALDH1A1LMNAPLD2PLD1
SCHEMBL4439012 0.85 USP2 (0.63) USP2ALDH1A1LMNAPLD2PLD1
Hydrochloric Acid SCHEMBL29848399 0.84 ALDH1A1 (0.56) USP2ALDH1A1LMNAPLD2PLD1
SCHEMBL6840371 0.84 USP2 (0.53) USP2ALDH1A1LMNASIRT2PLD2
SCHEMBL13899718 0.83 USP2 (0.52) USP2ALDH1A1LMNAPLD2PLD1
SCHEMBL30870639 0.82 SIRT2 (0.49) USP2ALDH1A1LMNASIRT2PLD2
SCHEMBL14008572 0.82 YEATS4 (0.66) USP2ALDH1A1LMNAPLD2PLD1
Trifluoroacetic Acid SCHEMBL4434600 0.81 USP2 (0.56) USP2ALDH1A1LMNAPLD2PLD1
SCHEMBL20529124 0.81 B3GNT2 (0.52) USP2ALDH1A1LMNAPLD2PLD1

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 2 patents. 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 disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed