SCHEMBL28895432

SCHEMBL28895432

FCC(F)F.NCc1nc(C2CCOCC2)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
MAPK1 P28482 1/20 0.32
TRPV3 Q8NET8 4/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
KCNH2 Q12809 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 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
SCHEMBL22899862 0.91 CHRNA7 (0.38) CHRNA7MAPK1TRPV3HTR1ADRD2
SCHEMBL29664304 0.91 CHRNA7 (0.38) CHRNA7MAPK1TRPV3HTR1ADRD2
SCHEMBL29664318 0.71 TRPV3 (0.35) CHRNA7TRPV3HTR1ADRD2DRD4
SCHEMBL28851189 0.71 TRPV3 (0.35) CHRNA7TRPV3HTR1ADRD2DRD4
SCHEMBL28851079 0.68 PIK3CD (0.40) CHRNA7PIK3CDPIK3CA
SCHEMBL30019117 0.65 HTR1A (0.36) CHRNA7HTR1ADRD2DRD4PIK3CD
SCHEMBL22899867 0.65 HTR1A (0.36) CHRNA7HTR1ADRD2DRD4PIK3CD
SCHEMBL28850945 0.65 LRRK2 (0.36) CHRNA7MAPK1HTR1ADRD2DRD4
SCHEMBL30718842 0.65 AOC3 (0.34) CHRNA7MAPK1PIK3CDPIK3CA
SCHEMBL27143849 0.65 AOC3 (0.34) CHRNA7MAPK1PIK3CDPIK3CA

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-115212311-A Pharmaceutical composition and application thereof 苏州亚盛药业有限公司 2022-10-21 CN disclosed