SCHEMBL31357915

SCHEMBL31357915

COc1ccc(C#N)c2occ(C3=CCCN(C(=O)OC(C)(C)C)C3)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 5/20 0.38
▸ RORC P51449 1/20 0.37
▸ GPR119 Q8TDV5 4/20 0.36
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ PDE4B Q07343 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ EED O75530 1/20 0.33
▸ RBBP4 Q09028 1/20 0.33
▸ SUZ12 Q15022 1/20 0.33
▸ EZH2 Q15910 1/20 0.33
▸ NSD2 O96028 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
SCHEMBL31358018 0.90 TBK1 (0.38) TBK1RORCGPR119NR1H2DGAT2
SCHEMBL31358092 0.82 DGAT2 (0.40) TBK1RORCGPR119NR1H2DGAT2
SCHEMBL15595098 0.74 PDK4 (0.47) GPR119CCNT1CDK9NR1H2PDE4B
SCHEMBL31357884 0.74 DGAT2 (0.40) GPR119NR1H2DGAT2
SCHEMBL31358097 0.73 IRAK4 (0.41) RORCGPR119DGAT2
SCHEMBL31358040 0.73 ALDH2 (0.42) RORCGPR119DGAT2
SCHEMBL31357877 0.73 JAK1 (0.30) —
SCHEMBL25953613 0.72 PDE4B (0.41) GPR119NR1H2PDE4BPTGDR2NSD2
SCHEMBL31357889 0.71 DGAT2 (0.38) GPR119CCNT1CDK9NR1H2DGAT2
SCHEMBL31358074 0.71 DGAT2 (0.39) GPR119CCNT1CDK9NR1H2DGAT2

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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