SCHEMBL28819617

SCHEMBL28819617

COc1cccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MCHR1 Q99705 1/20 0.43
PTAFR P25105 2/20 0.42
TSPO P30536 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL28819640 0.92 NPSR1 (0.54) HTTKDM4ELMNANPSR1MCHR1
SCHEMBL28819561 0.89 HTT (0.39) HTTMCHR1TSPO
SCHEMBL28819671 0.87 KDM4E (0.44) HTTKDM4ELMNANPSR1PTAFR
SCHEMBL28819512 0.85 CTSD (0.47) HTTKDM4ELMNANPSR1PTAFR
SCHEMBL28819615 0.85 CTSD (0.49) HTTKDM4ELMNANPSR1PTAFR
SCHEMBL28819553 0.84 PTAFR (0.45) LMNAPTAFRMAPTTP53TSHR
SCHEMBL27747026 0.84 MEN1 (0.45) HTTKDM4EPTAFRMAPTMEN1
SCHEMBL28819537 0.84 KDM4E (0.44) HTTKDM4EPTAFRMAPT
SCHEMBL28819650 0.84 CYP2D6 (0.42) HTTKDM4ELMNANPSR1PTAFR
SCHEMBL28819557 0.83 PTAFR (0.46) LMNAPTAFRMAPTTP53TSHR

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-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed