SCHEMBL22685191

SCHEMBL22685191

Nc1nc(C(F)(F)F)ccc1-c1ccc(C2(NC(=O)c3ccc(F)cc3)COC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 7/20 0.43
PDE2A O00408 2/20 0.41
IDO1 P14902 4/20 0.41
CYP2C9 P11712 2/20 0.40
HTR1A P08908 1/20 0.36
ABL1 P00519 2/20 0.35
BCR P11274 1/20 0.35
CHRNA7 P36544 2/20 0.35
HDAC4 P56524 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL22685351 0.91 WDR91 (0.54) WDR91PDE2AIDO1
SCHEMBL22684799 0.91 IDO1 (0.39) PDE2AIDO1CYP2C9HTR1AABL1
SCHEMBL22684822 0.89 WDR91 (0.40) WDR91PDE2AIDO1CYP2C9ABL1
SCHEMBL22685244 0.85 WDR91 (0.40) WDR91PDE2AIDO1ABL1KCNH2
SCHEMBL22685074 0.83 IDO1 (0.51) WDR91PDE2AIDO1CYP2C9ABL1
SCHEMBL22685173 0.80 IDO1 (0.42) WDR91PDE2AIDO1
SCHEMBL22685330 0.80 CXCR3 (0.42) PDE2A
SCHEMBL22439026 0.78 IDO1 (0.66) WDR91PDE2AIDO1CYP2C9
SCHEMBL22685327 0.77 PDE2A (0.39) PDE2AIDO1
SCHEMBL22685192 0.75 PDE2A (0.40) PDE2AIDO1

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed