SCHEMBL6980499

SCHEMBL6980499

Nc1nc(CCc2ccccc2)cc(C2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.67
DRD4 P21917 8/20 0.67
DRD3 P35462 8/20 0.67
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
CCR3 P51677 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NSD2 O96028 1/20 0.43
DCPS Q96C86 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6975763 0.85 DRD2 (0.86) DRD2DRD4DRD3ACHEBCHE
SCHEMBL1387890 0.81 DRD4 (1.00) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6976152 0.80 HRH4 (0.57) DRD2DRD4DRD3HRH3HRH4
SCHEMBL6975639 0.80 MAP3K12 (0.49) DRD2DRD4DRD3ACHEMEN1
SCHEMBL6981484 0.78 DRD2 (0.58) DRD2DRD4DRD3ACHEBCHE
SCHEMBL19716357 0.75 HRH4 (0.56) DRD2DRD4DRD3HRH4MEN1
SCHEMBL2930230 0.74 DRD2 (0.72) DRD2DRD4DRD3ACHEBCHE
SCHEMBL604313 0.73 HRH4 (0.80) HRH3HRH4
SCHEMBL604312 0.73 HRH4 (0.80) HRH3HRH4
SCHEMBL13490551 0.72 DRD2 (0.52) DRD2DRD4DRD3ACHEBCHE

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