SCHEMBL29084579

SCHEMBL29084579

CC1CCc2c(ccc3ccccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.48
HTR1A P08908 4/20 0.48
ANPEP P15144 1/20 0.46
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.39

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
Pyrrole SCHEMBL28853016 0.84 HTR7 (0.40) HTR7HTR1AANPEPPOLBKDM4E
SCHEMBL8084262 0.84 ANPEP (0.50) HTR7HTR1AANPEPPOLBKDM4E
SCHEMBL28751587 0.83 HTR7 (0.39) HTR7HTR1AANPEPPOLBKDM4E
Furan SCHEMBL28842415 0.81 HTR7 (0.38) HTR7HTR1AANPEPPOLBKDM4E
SCHEMBL18153644 0.76 ANPEP (0.43) HTR7HTR1AANPEPKDM4EALDH1A1
SCHEMBL6565496 0.74 ANPEP (0.42) HTR7HTR1AANPEPPOLBACHE
SCHEMBL54652 0.73 ALDH1A1 (0.50) ANPEPKDM4EALDH1A1ACHEMAPT
SCHEMBL29481017 0.73 ALDH1A1 (0.50) ANPEPKDM4EALDH1A1ACHEMAPT
SCHEMBL19116646 0.73 ANPEP (0.50) HTR7HTR1AANPEPKDM4EALDH1A1
SCHEMBL13816726 0.72 MAOA (0.31) HTR7HTR1A

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
CN-116854553-A Synthesis method of phenanthrene compound 武汉大学 2023-10-10 CN claimed
CN-116854553-A Synthesis method of phenanthrene compound 武汉大学 2023-10-10 CN disclosed