SCHEMBL6969303

SCHEMBL6969303

COc1ccc(N)c(C(=O)C2CCN(C(=O)c3ccccc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
ALDH1A1 P00352 5/20 0.59
ACHE P22303 1/20 0.57
BACE1 P56817 1/20 0.57
GAA P10253 1/20 0.57
CPS1 P31327 1/20 0.57
HSD11B1 P28845 3/20 0.56
MGLL Q99685 3/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.53
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
SLC18A3 Q16572 2/20 0.53

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
Hydrochloric Acid SCHEMBL6969837 0.99 POLB (0.59) POLBALDH1A1ACHEBACE1GAA
SCHEMBL6973342 0.82 MGLL (0.67) HSD11B1MGLL
SCHEMBL6210853 0.82 POLB (0.89) POLBALDH1A1ACHEBACE1GAA
SCHEMBL1720550 0.82 POLB (0.89) POLBALDH1A1ACHEBACE1GAA
SCHEMBL6969906 0.81 MGLL (0.64) ACHEHSD11B1MGLLSMN1; SMN2
Hydrochloric Acid SCHEMBL6979800 0.80 MGLL (0.63) ACHEHSD11B1MGLLSMN1; SMN2
SCHEMBL1340897 0.79 NOS2 (0.48) POLBALDH1A1CPS1LMNASMN1; SMN2
SCHEMBL2533157 0.74 ALDH1A1 (0.67) POLBALDH1A1GAALMNASMN1; SMN2
SCHEMBL31366495 0.74 ALDH1A1 (0.67) POLBALDH1A1GAALMNASMN1; SMN2
SCHEMBL1720183 0.74 MGLL (0.82) POLBALDH1A1ACHEHSD11B1MGLL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
US-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed
EP-0892795-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-01-27 EP disclosed
WO-1997038992-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-23 WO disclosed