SCHEMBL8470756

SCHEMBL8470756

N#Cc1ccc(OCCN2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
LARS1 Q9P2J5 1/20 0.44
HDAC1 Q13547 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
DRD2 P14416 5/20 0.43
DRD3 P35462 5/20 0.43
KCNH2 Q12809 5/20 0.43
DRD4 P21917 2/20 0.43
MCHR1 Q99705 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
HRH3 Q9Y5N1 5/20 0.41
CYP2D6 P10635 1/20 0.41
HRH1 P35367 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL8472760 0.84 LTA4H (0.44) LTA4HLARS1HDAC1GRIN1GRIN2B
SCHEMBL8473537 0.78 PTPN1 (0.59) HRH3
SCHEMBL6753874 0.78 LARS1 (0.72) LTA4HLARS1HDAC1DRD2DRD3
SCHEMBL13898790 0.78 LARS1 (0.72) LARS1DRD2KCNH2HRH3CYP2D6
SCHEMBL8474531 0.77 HDAC1 (0.47) LTA4HLARS1HDAC1GRIN1GRIN2B
SCHEMBL14393522 0.75 HRH3 (0.55) HRH3HRH1
SCHEMBL7275892 0.74 GRIN1 (0.44) GRIN1GRIN2BDRD2DRD3KCNH2
SCHEMBL7273056 0.74 PRMT5 (0.51) HDAC1DRD2DRD3KCNH2DRD4
SCHEMBL6219605 0.74 HDAC1 (0.57) HDAC1DRD2DRD3KCNH2NOX4
SCHEMBL8470488 0.74 HDAC1 (0.57) HDAC1DRD2DRD3KCNH2NOX4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990139-A 2,5-DIOXO-4-(PYRIDYL OR PHENYL-(N-HETEROCYCLE(C4N,C3N2))-ALKYLENOXY-(1,4-PHENYLENE) -)THIADIAZOLIDINES; ANTIDIABETIC AND -LIPEMIC AGENTS; SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-11-23 US disclosed