SCHEMBL6969338

SCHEMBL6969338

Nc1nc(C2CCN(C(=O)c3ccccc3)CC2)c2cc(Cl)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.47
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
MAPT P10636 1/20 0.43
MAP3K12 Q12852 1/20 0.43
ACHE P22303 1/20 0.43
AVPR1A P37288 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
SCHEMBL6976291 0.86 LMNA (0.55) MEN1KMT2ALMNAMAP3K12ACHE
SCHEMBL6977642 0.84 MAPK7 (0.57) MEN1KMT2ALMNAACHE
SCHEMBL6974879 0.76 DRD2 (0.65) MGLLMEN1KMT2ALMNAMAPT
SCHEMBL6981223 0.75 ACHE (0.55) MGLLMEN1KMT2ALMNAMAP3K12
SCHEMBL6973351 0.74 DRD2 (0.52) MGLLMEN1KMT2ALMNAMAPT
SCHEMBL6974797 0.74 ACHE (0.48) KMT2ALMNAFABP4FABP5ACHE
SCHEMBL6968387 0.73 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL6969942 0.71 MAP3K12 (0.60) LMNAMAP3K12ACHE
SCHEMBL16628710 0.71 HSP90AA1 (0.76) LMNA
SCHEMBL6976998 0.70 KDM4E (0.53) LMNAMAPT

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