SCHEMBL31358092

SCHEMBL31358092

CC(C)(C)OC(=O)N1CCC=C(c2coc3c(C#N)cccc23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.40
▸ GPR119 Q8TDV5 4/20 0.39
▸ RORC P51449 1/20 0.39
▸ PDK4 Q16654 1/20 0.37
▸ EED O75530 1/20 0.36
▸ RBBP4 Q09028 1/20 0.36
▸ SUZ12 Q15022 1/20 0.36
▸ EZH2 Q15910 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NR1H2 P55055 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR6 P50406 1/20 0.33

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
SCHEMBL31357915 0.82 TBK1 (0.38) DGAT2GPR119RORCEEDRBBP4
SCHEMBL31357908 0.81 MAPK1 (0.41) DGAT2GPR119PDK4MAPK1NR1H2
SCHEMBL31358018 0.80 TBK1 (0.38) DGAT2GPR119RORCEEDRBBP4
SCHEMBL31357889 0.79 DGAT2 (0.38) DGAT2GPR119PDK4MAPK1NR1H2
SCHEMBL31358097 0.79 IRAK4 (0.41) DGAT2GPR119RORC
SCHEMBL31358040 0.79 ALDH2 (0.42) DGAT2GPR119RORCESR2
SCHEMBL31287977 0.77 RORC (0.42) DGAT2GPR119RORCPDK4EED
SCHEMBL31357996 0.75 WDR5 (0.39) DGAT2GPR119PDK4NR1H2ESR2
SCHEMBL22944326 0.75 PDK4 (0.48) DGAT2GPR119PDK4MAPK1NR1H2
SCHEMBL31358013 0.73 KDM1A (0.38) DGAT2NR1H2ESR2

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
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