SCHEMBL22899862

SCHEMBL22899862

NCc1nc(C2CCOCC2)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PDE8A O60658 1/20 0.33
CNR2 P34972 1/20 0.33
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
TRPV3 Q8NET8 2/20 0.31
MAP3K12 Q12852 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL29664304 1.00 CHRNA7 (0.38) CHRNA7PRMT5WDR77PIK3CDPIK3CA
SCHEMBL28895432 0.91 CHRNA7 (0.33) CHRNA7PRMT5WDR77PIK3CDPIK3CA
SCHEMBL28851079 0.76 PIK3CD (0.40) CHRNA7PIK3CDPIK3CAPDE8ACNR2
SCHEMBL29664318 0.76 TRPV3 (0.35) CHRNA7PIK3CDPIK3CACNR2HTR1A
SCHEMBL28851189 0.76 TRPV3 (0.35) CHRNA7PIK3CDPIK3CACNR2HTR1A
SCHEMBL28850945 0.72 LRRK2 (0.36) CHRNA7PIK3CDPIK3CACNR2HTR1A
SCHEMBL22899867 0.72 HTR1A (0.36) CHRNA7PIK3CDPIK3CACNR2HTR1A
SCHEMBL30019117 0.72 HTR1A (0.36) CHRNA7PIK3CDPIK3CACNR2HTR1A
SCHEMBL20972281 0.71 TRPV3 (0.40) TRPV3
SCHEMBL27370606 0.71 PDE8A (0.49) CHRNA7PIK3CDPIK3CAPDE8ACNR2

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-2021011713-A1 IMIDAZOPYRIMIDINES AS EED INHIBITORS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-01-21 WO disclosed