SCHEMBL20726372

SCHEMBL20726372

C/C(N)=C1/C(=O)Nc2cc(O)c(-c3ccc(OCCCN4CCCCC4)cc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.51
MAOB P27338 3/20 0.48
HRH3 Q9Y5N1 9/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
KCNH2 Q12809 3/20 0.46
KDM4E B2RXH2 1/20 0.45
ADORA2A P29274 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL20726414 0.79 MTNR1A (0.45)
SCHEMBL20726395 0.75 PRKAB2 (0.57) HTR3AHRH3KDM4EHRH1
SCHEMBL20726492 0.74 PRKAB2 (0.56) HTR3AHRH3KDM4EHRH1
SCHEMBL20726379 0.72 PRKAB2 (0.44) MAOB
SCHEMBL20726478 0.71 AURKA (0.39)
SCHEMBL20726351 0.70 BRD4 (0.41)
SCHEMBL20726357 0.69 BRD4 (0.40) ACHE
SCHEMBL12050645 0.69 HRH3 (1.00) HRH3KCNH2HRH1
SCHEMBL4094339 0.69 HRH3 (1.00) HRH3KCNH2HRH1
SCHEMBL7061367 0.68 KDM4E (0.48) HRH3BCHEACHEKCNH2KDM4E

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
EP-3083611-B1 OXINDOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE IN THE TREATMENT OF AMPK-RELATED DISEASES SANOFI SA (FR) 2019-02-13 EP disclosed