SCHEMBL28898613

SCHEMBL28898613

c1ccc2c(c1)Cc1c-2cccc1C1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
ADRA1A P35348 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 2/20 0.39
PDPK1 O15530 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CYP11B2 P19099 1/20 0.37
ANPEP P15144 2/20 0.36
IL1RN P18510 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
CYP19A1 P11511 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
GID4 Q8IVV7 1/20 0.35

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
SCHEMBL8984790 0.83 PNMT (0.46) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL21580187 0.77 PNMT (0.39) PNMTNPC1RAB9AANPEPIL1RN
SCHEMBL28945985 0.75 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6524402 0.75 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
Iodide SCHEMBL3382482 0.74 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
Fluoride Ion SCHEMBL3384402 0.74 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL30274953 0.74 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL3385861 0.74 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
Bromide SCHEMBL3383744 0.74 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29187306 0.74 ADRA1A (0.45) ADRA1AIDO1PDPK1SIGMAR1CYP11B2

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
CN-106905133-B Spiro-fluorene-indene diketone compound and preparation method and application thereof 肇庆医学高等专科学校 2020-06-19 CN disclosed