SCHEMBL6970106

SCHEMBL6970106

COc1ccc(CC(=O)CC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.65
BACE1 P56817 2/20 0.65
GAA P10253 1/20 0.59
POLB P06746 2/20 0.56
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.52
HSD11B1 P28845 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MGLL Q99685 1/20 0.51

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
SCHEMBL6976855 0.85 GAA (0.67) ACHEBACE1GAAPOLBALDH1A1
SCHEMBL6969542 0.85 MGLL (0.62) ALDH1A1KMT2AMEN1LMNAMGLL
SCHEMBL6210853 0.78 POLB (0.89) ACHEBACE1GAAPOLBALDH1A1
SCHEMBL1720550 0.78 POLB (0.89) ACHEBACE1GAAPOLBALDH1A1
SCHEMBL6972961 0.76 KMT2A (0.55) ACHEBACE1POLBALDH1A1KMT2A
SCHEMBL6973290 0.75 EPHX1 (0.61) ACHEALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL24011198 0.75 NPC1 (0.64) ACHEBACE1GAAALDH1A1SMN1; SMN2
SCHEMBL7244230 0.74 MEN1 (0.69) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL24663619 0.74 ACHE (0.64) ACHEALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2835506 0.74 TSHR (0.68) ACHEBACE1GAAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP 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