SCHEMBL6973095

SCHEMBL6973095

Nc1nc(Cc2ccc(Cl)cc2)cc(C2CCNCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.56
HSP90AB1 P08238 1/20 0.56
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
PLAT P00750 2/20 0.40
HTR6 P50406 1/20 0.39
HTR3A P46098 1/20 0.39
ADCY10 Q96PN6 1/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 1/20 0.38
PRMT5 O14744 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL6968922 0.85 HRH4 (0.51) HRH4HTR2CHRH3PLATHTR6
SCHEMBL6979605 0.81 DRD2 (0.59) HRH4HSP90AB1DRD2DRD4DRD3
SCHEMBL19716357 0.77 HRH4 (0.56) HRH4HSP90AB1DRD2DRD4DRD3
SCHEMBL6976152 0.77 HRH4 (0.57) HRH4DRD2DRD4DRD3HRH3
SCHEMBL604139 0.75 HRH4 (0.56) HRH4HSP90AB1HTR2CHTR2BHRH3
SCHEMBL6973351 0.74 DRD2 (0.52) HRH4HSP90AB1DRD2DRD4DRD3
SCHEMBL5456035 0.73 RAB9A (0.44) HTR2CHTR2BNPC1RAB9APLAT
SCHEMBL13257214 0.70 HRH4 (0.70) HRH4HRH3CDK1CDK2
SCHEMBL28217398 0.70 HRH4 (0.70) HRH4HSP90AB1HTR2CHRH3CDK1
SCHEMBL5763935 0.70 PRCP (0.45) HTR2CHTR2BPLATHTR6

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