SCHEMBL7439313

SCHEMBL7439313

FC(F)(F)c1cccc(C2=CCNC(CCc3ccc(-c4ccccc4)cc3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
HTR2C P28335 2/20 0.45
S1PR5 Q9H228 2/20 0.41
SLC13A5 Q86YT5 1/20 0.41
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
NAAA Q02083 1/20 0.38
KDM1A O60341 1/20 0.38
CXCR3 P49682 1/20 0.37
ACP3 P15309 1/20 0.37
SCN2A Q99250 1/20 0.37
CXCR2 P25025 1/20 0.36
GPR34 Q9UPC5 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
BACE1 P56817 1/20 0.34
S1PR1 P21453 1/20 0.34
GRK5 P34947 1/20 0.34
CDK8 P49336 1/20 0.34
KIFC1 Q9BW19 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL8540798 0.92 HTR2C (0.44) MAOBHTR2CS1PR5SLC13A5HRH1
SCHEMBL8542783 0.91 MAOB (0.42) MAOBHTR2CS1PR5SLC13A5HRH1
SCHEMBL6885675 0.90 MAOB (0.41) MAOBHTR2CS1PR5SLC13A5HRH1
SCHEMBL7454616 0.90 HTR2C (0.41) MAOBHTR2CS1PR5SLC13A5HRH1
SCHEMBL7100010 0.88 HTR2C (0.43) MAOBHTR2CS1PR5HRH1HRH4
SCHEMBL8541203 0.87 HTR2C (0.42) MAOBHTR2CHRH1HRH4CXCR3
Hydrochloric Acid SCHEMBL1742023 0.87 HTR2C (0.44) MAOBHTR2CS1PR5HRH1HRH4
SCHEMBL7453648 0.87 HTR2C (0.40) MAOBHTR2CS1PR5HRH1HRH4
SCHEMBL8024707 0.84 HTR2C (0.41) MAOBHTR2CS1PR5HRH1HRH4
SCHEMBL8543404 0.84 FAAH (0.42) MAOBHTR2CHRH1HRH4

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-1030671-A1 COMBINATION OF ACTIVE PRINCIPLES, IN PARTICULAR OF TETRAHYDROPYRIDINS AND ACETYLCHOLINESTERASE INHIBITING AGENTS, FOR TREATING SENILE DEMENTIA SUCH AS ALZHEIMER DEMENTIA SANOFI-SYNTHELABO (FR) 2000-08-30 EP claimed
WO-1999025363-A1 COMBINATION OF ACTIVE PRINCIPLES, IN PARTICULAR OF TETRAHYDROPYRIDINS AND ACETYLCHOLINESTERASE INHIBITING AGENTS, FOR TREATING SENILE DEMENTIA SUCH AS ALZHEIMER DEMENTIA SANOFI-SYNTHELABO (FR) 1999-05-27 WO claimed