SCHEMBL5213504

SCHEMBL5213504

CCN1CCN(c2cc(-c3ccc(F)cc3)nc(-c3ccccc3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
LMNA P02545 5/20 0.58
KDM4E B2RXH2 4/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.55
TSHR P16473 2/20 0.55
MAPK1 P28482 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
DRD2 P14416 5/20 0.52
HTR2A P28223 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
HTR3A P46098 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL3450414 0.92 HPGD (0.67) MAPTLMNAKDM4EHPGDHSD17B10
SCHEMBL3451108 0.86 HRH4 (0.64) MAPTLMNAKDM4EHPGDHSD17B10
SCHEMBL3451651 0.79 MAPT (0.61) MAPTLMNAKDM4EHPGDHSD17B10
SCHEMBL3452028 0.77 HRH4 (0.74) MAPTLMNAKDM4EHPGDHSD17B10
SCHEMBL30085626 0.76 TSHR (0.53) MAPTKDM4EHPGDHSD17B10TSHR
SCHEMBL28895015 0.76 TSHR (0.53) MAPTKDM4EHPGDHSD17B10TSHR
SCHEMBL11800148 0.76 MAPT (0.61) MAPTLMNAKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL10630848 0.75 DRD2 (0.57) MAPTLMNAKDM4EHPGDTSHR
SCHEMBL13309949 0.74 HPGD (1.00) MAPTLMNAKDM4EHPGDHSD17B10
SCHEMBL28255854 0.73 MEN1 (0.66) MAPTLMNAKDM4EHPGDMAPK1

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-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP claimed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed