SCHEMBL31357908

SCHEMBL31357908

CC(C)(C)OC(=O)N1CCC=C(c2coc3ccccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ DGAT2 Q96PD7 1/20 0.41
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ DTYMK P23919 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ NR1H2 P55055 2/20 0.37
▸ LIPG Q9Y5X9 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ CRBN Q96SW2 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
SCHEMBL31358013 0.85 KDM1A (0.38) DGAT2ESR2NR1H2
SCHEMBL31358074 0.83 DGAT2 (0.39) MAPK1PDK4DGAT2GPR119ESR2
SCHEMBL31358097 0.83 IRAK4 (0.41) DGAT2GPR119ALK
SCHEMBL31358040 0.83 ALDH2 (0.42) DGAT2GPR119ESR2ALK
SCHEMBL13584241 0.82 PDK4 (0.59) PDK4HTR6NAMPT
SCHEMBL31358092 0.81 DGAT2 (0.40) MAPK1PDK4DGAT2CHRM2CHRM4
SCHEMBL22944326 0.81 PDK4 (0.48) MAPK1PDK4DGAT2CHRM2CHRM4
SCHEMBL31357947 0.81 NAMPT (0.38) MAPK1PDK4CHRM2CHRM4CHRM1
SCHEMBL31357889 0.79 DGAT2 (0.38) MAPK1PDK4DGAT2HTR6GPR119
SCHEMBL3642252 0.78 PDK4 (0.47) MAPK1PDK4DGAT2GPR119ESR2

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-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 — — WO disclosed
Send feedback