SCHEMBL22955944

SCHEMBL22955944

CC#Cc1cc(C)c(C2C(=O)CC(C3CCN(C(=O)c4ccccn4)CC3)CC2=O)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
PDE4B Q07343 1/20 0.40
GAA P10253 1/20 0.40
RBP4 P02753 1/20 0.40
EPHX2 P34913 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CCR8 P51685 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPC6 Q9Y210 2/20 0.36
GRM4 Q14833 1/20 0.36
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
EPHX1 P07099 1/20 0.35
CYP2D6 P10635 1/20 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
SCHEMBL22955948 0.92 GAA (0.44) GAARBP4EPHX2L3MBTL1EPHX1
SCHEMBL22955937 0.92 CHRNB2 (0.41) DRD2PDE4BGAARBP4L3MBTL1
SCHEMBL22954960 0.90 GRM4 (0.39) ADRA1AGRM4
SCHEMBL22992172 0.87 PDE4B (0.43) DRD2PDE4BGAARBP4EPHX2
SCHEMBL22954945 0.87 MEN1 (0.44) PDE4BGAAL3MBTL1MEN1KMT2A
SCHEMBL21344243 0.86 CCR8 (0.46) DRD2PDE4BGAARBP4EPHX2
SCHEMBL24120297 0.84 PDE4B (0.38) DRD2PDE4BGAARBP4L3MBTL1
SCHEMBL22955565 0.83 CHRNB2 (0.47) GAARBP4EPHX2L3MBTL1MEN1
SCHEMBL22954946 0.83 QDPR (0.36) PDE4BSLC9A1
SCHEMBL22954994 0.82 PDE2A (0.45) GAAEPHX2L3MBTL1MEN1KMT2A

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
WO-2021018833-A1 CYCLOHEXANEDIONES AS HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed