SCHEMBL22280125

SCHEMBL22280125

CN1CCC(S(=O)(Cl)=N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.34
▸ CXCR2 P25025 2/20 0.34
▸ HTR2A P28223 4/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC6A2 P23975 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32

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
SCHEMBL22280124 0.85 HTR6 (0.34) HTR6HTR2AHTR2CHTR7HTR1A
SCHEMBL22265876 0.72 CHRM3 (0.35) HTR6CXCR2HTR2AHTR2CSLC6A2
SCHEMBL22265836 0.71 ALDH1A1 (0.38) L3MBTL1
SCHEMBL22265851 0.71 KMT2A (0.36) HTR6CXCR2HTR2AHTR2CSLC6A2
SCHEMBL799175 0.67 HTR2A (0.55) HTR6CXCR2HTR2AHTR2CDRD2
SCHEMBL22265913 0.64 MCL1 (0.32) HTR6ATM
SCHEMBL22280117 0.63 KMT2A (0.36) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL28261315 0.63 CXCR2 (0.33) CXCR2HTR2AHTR2CL3MBTL1
SCHEMBL22266033 0.63 NR3C2 (0.36) HTR6
SCHEMBL20284412 0.62 HTR2A (0.49) HTR2AHTR2CDRD2ATML3MBTL1

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-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 — — WO disclosed
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