SCHEMBL6981676

SCHEMBL6981676

COc1ccc2nc(N)nc(C3CCNCC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUND P17535 1/20 0.46
FOSB P53539 1/20 0.46
HTR2C P28335 2/20 0.45
HTR6 P50406 1/20 0.44
BCHE P06276 4/20 0.42
ACHE P22303 4/20 0.42
CHRM1 P11229 1/20 0.42
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
PIM3 Q86V86 2/20 0.41
NCF1 P14598 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
APP P05067 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6974797 0.80 ACHE (0.48) HTR6BCHEACHEGRIN1GRIN2A
SCHEMBL3569881 0.79 MAPK7 (0.53) JUNDFOSBHTR2CHTR6MEN1
SCHEMBL6975725 0.76 NUDT1 (0.53) HTR2CHTR6BCHEACHEMEN1
SCHEMBL6977642 0.76 MAPK7 (0.57) ACHEMEN1KMT2AALDH1A1
SCHEMBL23009237 0.74 KDM4E (0.59) MEN1KMT2AKDM4EHTTAPP
SCHEMBL7716402 0.73 KDM4E (0.58) HTR2CHTR6KDM4EHSD17B10
SCHEMBL6978719 0.73 MEN1 (0.49) JUNDFOSBHTR2CMEN1KMT2A
SCHEMBL15650495 0.72 PIM3 (0.44) BCHEACHECHRM1GRIN1GRIN2A
SCHEMBL3570195 0.71 MAPK7 (0.53) JUNDFOSBHTR2CHTR6MEN1
SCHEMBL11236323 0.71 HTR2C (0.47) JUNDFOSBHTR2CHTR6ACHE

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 2 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