SCHEMBL8094403

SCHEMBL8094403

N#Cc1ccc(CCc2[c]cccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.46
KCNH2 Q12809 2/20 0.46
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
LOXL2 Q9Y4K0 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
DAO P14920 2/20 0.39
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.36

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
SCHEMBL7431231 0.84 LOXL2 (0.44) KCNJ1KCNH2MAOBMAOALOXL2
SCHEMBL158396 0.79 MAOA (0.43) KCNH2MAOBMAOALOXL2CYP2A6
SCHEMBL6960019 0.77 MAOB (0.66) KCNJ1KCNH2MAOBMAOALOXL2
SCHEMBL216358 0.77
SCHEMBL1004267 0.77 LOXL2 (0.64) KCNJ1KCNH2MAOBMAOALOXL2
SCHEMBL4405621 0.77 ESR1 (0.54) HTR1AKMT2A
SCHEMBL9320456 0.77 KCNH2 (0.47) KCNH2CYP2A6MAPTDRD4HRH1
SCHEMBL8094406 0.75 LOXL2 (0.52) KCNJ1KCNH2MAOBMAOALOXL2
SCHEMBL1862280 0.73 LOXL2 (0.42) LOXL2HRH1SMN1; SMN2ABCB1
SCHEMBL3118969 0.72 MEN1 (0.42) KMT2A

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
US-6160194-A Soil decontamination using ferric chelates and peroxide THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 2000-12-12 US disclosed
US-5232484-A Aqueous acid solution; mineralization; absence of large concentrations of organic solvents, chloride and sulfate THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 1993-08-03 US disclosed