SCHEMBL6974879

SCHEMBL6974879

Nc1nc(-c2ccc(Cl)cc2)cc(C2CCN(C(=O)c3ccccc3)CC2)n1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.65
DRD4 P21917 1/20 0.65
DRD3 P35462 1/20 0.65
MAP3K12 Q12852 3/20 0.55
MGLL Q99685 5/20 0.51
ACACB O00763 2/20 0.51
ACACA Q13085 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR2B P41595 1/20 0.45
SMO Q99835 1/20 0.44

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
SCHEMBL6969942 0.92 MAP3K12 (0.60) DRD2DRD4DRD3MAP3K12ACACB
SCHEMBL6974760 0.86 MAP3K12 (0.55) DRD2DRD4DRD3MAP3K12ACACB
SCHEMBL6973351 0.85 DRD2 (0.52) DRD2DRD4DRD3MAP3K12MGLL
SCHEMBL1387890 0.79 DRD4 (1.00) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6975639 0.78 MAP3K12 (0.49) DRD2DRD4DRD3MAP3K12ACACB
SCHEMBL6969338 0.76 MGLL (0.48) MAP3K12MGLLMEN1KMT2AMAPT
SCHEMBL6981223 0.75 ACHE (0.55) MAP3K12MGLLACACBACACAMEN1
SCHEMBL6976878 0.74 HSD11B1 (0.51) MAP3K12MEN1KMT2ALMNAALDH1A1
SCHEMBL21284441 0.73 TRPC6 (0.61) MGLLMEN1KMT2AMAPT
SCHEMBL29911271 0.73 TRPC6 (0.61) MGLLMEN1KMT2AMAPT

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