SCHEMBL31629440

SCHEMBL31629440

COC(=O)c1cn(COCC[Si](C)(C)C)c(C(c2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ F2RL1 P55085 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CTSA P10619 1/20 0.33
▸ LMNA P02545 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
SCHEMBL31629110 0.84 DGAT1 (0.33) DGAT1F2RL1
SCHEMBL31629432 0.82 DGAT1 (0.33) DGAT1F2RL1
SCHEMBL31628946 0.82 ALDH1A1 (0.38) DGAT1ALDH1A1F2RL1MEN1MAPT
SCHEMBL31629429 0.81 DGAT1 (0.31) DGAT1F2RL1
SCHEMBL31629099 0.81 GRIN2B (0.38) ALDH1A1F2RL1MEN1MAPTCASP3
SCHEMBL31631795 0.77 F2RL1 (0.35) DGAT1F2RL1GRIN1GRIN2B
SCHEMBL13734459 0.77 DGAT1 (0.41) DGAT1F2RL1MAPTF11
SCHEMBL31629158 0.77 F2RL1 (0.35) DGAT1F2RL1
SCHEMBL31628951 0.76 MAPK1 (0.33) DGAT1F2RL1F11MAPK1GRIN1
SCHEMBL13734768 0.76 DGAT1 (0.40) DGAT1F2RL1MAPTF11

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-2025125666-A1 SUBSTITUTED IMIDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-06-19 — — WO disclosed
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