SCHEMBL29254149

SCHEMBL29254149

NC1CCC(c2cccc3c2Cc2ccccc2-3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
KDM1A O60341 4/20 0.39
KDM1B Q8NB78 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PLAU P00749 1/20 0.37
ANPEP P15144 2/20 0.35
IL1RN P18510 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 2/20 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
SCHEMBL28945985 0.83 PNMT (0.45) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL6524402 0.83 PNMT (0.45) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL29254142 0.78 PNMT (0.38) PNMTHTR2AHTR7HTR2BNPC1
SCHEMBL28946003 0.76 HTR1A (0.39) PNMTHTR7NPC1RAB9ADRD2
SCHEMBL29289209 0.74 HTR2A (0.41) KDM1AKDM1BHTR2APLAU
Fluoride Ion SCHEMBL3384402 0.73 PNMT (0.52) PNMTHTR2AHTR7HTR2BNPC1
Hydrochloric Acid SCHEMBL30274953 0.73 PNMT (0.52) PNMTHTR2AHTR7HTR2BNPC1
Iodide SCHEMBL3382482 0.73 PNMT (0.52) PNMTHTR2AHTR7HTR2BNPC1
Hydrochloric Acid SCHEMBL3385861 0.73 PNMT (0.52) PNMTHTR2AHTR7HTR2BNPC1
Bromide SCHEMBL3383744 0.73 PNMT (0.52) PNMTHTR2AHTR7HTR2BNPC1

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-118005921-A High-transparency polyimide film material for flexible display and preparation method thereof 大连理工大学盘锦产业技术研究院 2024-05-10 CN claimed