SCHEMBL28561190

SCHEMBL28561190

C(#Cc1c[nH]c2ccccc12)c1ccc2c(CN3CCOCC3)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ DRD2 P14416 6/20 0.50
▸ DRD4 P21917 6/20 0.50
▸ DRD3 P35462 6/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HTR6 P50406 1/20 0.49
▸ HRH3 Q9Y5N1 6/20 0.48
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GAA P10253 1/20 0.44

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
SCHEMBL1856027 0.82 BCHE (0.79) BCHECYP2D6LMNAHTTKDM4E
SCHEMBL24216492 0.79 HRH3 (0.51) BCHECYP2D6LMNAHTTKDM4E
SCHEMBL30409802 0.79 HRH3 (0.51) BCHECYP2D6LMNAHTTKDM4E
SCHEMBL26912467 0.76 MAPT (0.53) CYP2D6LMNAKDM4EDRD2DRD4
SCHEMBL31217232 0.73 EGFR (0.56) BCHECYP2D6LMNAHTTKDM4E
SCHEMBL19252887 0.73 HRH3 (0.54) BCHECYP2D6LMNAHTTKDM4E
SCHEMBL29479428 0.73 DRD4 (0.58) BCHECYP2D6MAPK1DRD2DRD4
SCHEMBL13050952 0.73 HRH3 (0.56) BCHECYP2D6LMNAHTTKDM4E
SCHEMBL27868474 0.73 HRH3 (0.54) BCHECYP2D6LMNAHTTKDM4E
SCHEMBL7667948 0.73 BCHE (0.66) BCHECYP2D6LMNAHTTKDM4E

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-107848964-B EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2021-03-19 — — CN disclosed
Send feedback