SCHEMBL6975763

SCHEMBL6975763

Nc1nc(-c2ccccc2)cc(C2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.86
DRD4 P21917 9/20 0.86
DRD3 P35462 9/20 0.86
ADORA2A P29274 2/20 0.51
ADORA1 P30542 1/20 0.51
ACHE P22303 3/20 0.48
BCHE P06276 2/20 0.48
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL1387890 0.93 DRD4 (1.00) DRD2DRD4DRD3ALDH1A1
SCHEMBL6980499 0.85 DRD2 (0.67) DRD2DRD4DRD3ACHEBCHE
SCHEMBL13490449 0.79 DRD2 (0.59) DRD2DRD4DRD3ACHEBCHE
SCHEMBL6981484 0.78 DRD2 (0.58) DRD2DRD4DRD3ACHEBCHE
SCHEMBL6981381 0.75 HRH4 (0.62) DRD2DRD4DRD3ADORA2AADORA1
SCHEMBL6969942 0.75 MAP3K12 (0.60) DRD2DRD4DRD3ADORA2AADORA1
SCHEMBL2930230 0.74 DRD2 (0.72) DRD2DRD4DRD3ACHEBCHE
SCHEMBL1388551 0.73 DRD4 (0.70) DRD2DRD4DRD3
SCHEMBL13490551 0.72 DRD2 (0.52) DRD2DRD4DRD3ACHEBCHE
SCHEMBL171620 0.72 HPGDS (0.55) DRD2DRD4DRD3ACHEALDH1A1

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