SCHEMBL6978451

SCHEMBL6978451

COc1ccc(-c2c(C)nc(N)nc2C2CCN(C(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
HTR2B P41595 1/20 0.53
LMNA P02545 4/20 0.51
BACE1 P56817 2/20 0.51
ACHE P22303 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ADAMTS7 Q9UKP4 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MAPK7 Q13164 1/20 0.47
SMO Q99835 1/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL6974760 0.82 MAP3K12 (0.55) HSD11B1HTR2BLMNABACE1ACHE
SCHEMBL6977642 0.82 MAPK7 (0.57) HSD11B1HTR2BLMNABACE1ACHE
SCHEMBL6978719 0.77 MEN1 (0.49) HTR2BLMNAMEN1KMT2AALDH1A1
SCHEMBL6976878 0.75 HSD11B1 (0.51) HSD11B1HTR2BLMNABACE1ACHE
SCHEMBL6976291 0.74 LMNA (0.55) HTR2BLMNAACHEMEN1KMT2A
SCHEMBL6981223 0.72 ACHE (0.55) HSD11B1HTR2BLMNAACHEMEN1
SCHEMBL6210853 0.70 POLB (0.89) HSD11B1LMNABACE1ACHEMEN1
SCHEMBL1720550 0.70 POLB (0.89) HSD11B1LMNABACE1ACHEMEN1
SCHEMBL21284437 0.70 TRPC6 (0.69) HSD11B1HTR2BGAAPOLB
SCHEMBL29911265 0.70 TRPC6 (0.69) HSD11B1HTR2BGAAPOLB

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