SCHEMBL28649451

SCHEMBL28649451

C=C1CCCC(c2cccc3c2Cc2ccccc2-3)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.38
HTR1A P08908 3/20 0.38
PNMT P11086 1/20 0.38
CHRNA7 P36544 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR2B P41595 1/20 0.32
DRD2 P14416 1/20 0.32
IDO1 P14902 1/20 0.32
HTR2A P28223 1/20 0.32
OPRM1 P35372 3/20 0.32
OPRK1 P41145 3/20 0.32
OPRL1 P41146 3/20 0.32

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
SCHEMBL6524402 0.81 PNMT (0.45) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL28945985 0.81 PNMT (0.45) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL28946003 0.73 HTR1A (0.39) HTR7HTR1APNMTNPC1RAB9A
SCHEMBL29254149 0.72 PNMT (0.46) HTR7PNMTNPC1RAB9AHTR2B
SCHEMBL28898613 0.70 PNMT (0.44) HTR7PNMTNPC1RAB9AHTR2B
SCHEMBL8984790 0.69 PNMT (0.46) HTR7PNMTNPC1RAB9AHTR2B
Hydrochloric Acid SCHEMBL3385861 0.68 PNMT (0.52) HTR7PNMTNPC1RAB9AHTR2B
Iodide SCHEMBL3382482 0.68 PNMT (0.52) HTR7PNMTNPC1RAB9AHTR2B
Hydrochloric Acid SCHEMBL30274953 0.68 PNMT (0.52) HTR7PNMTNPC1RAB9AHTR2B
Fluoride Ion SCHEMBL3384402 0.68 PNMT (0.52) HTR7PNMTNPC1RAB9AHTR2B

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-108137443-B Fluorene derivative, photopolymerization initiator containing same, and photoresist composition 克美 2021-06-08 CN disclosed