Sugi Predict

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SCHEMBL8044796

SCHEMBL8044796

CC(C)(C1CCN(C(=O)c2c(S(C)(=O)=O)cc(OC3CC3)cc2S(C)(=O)=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 18/20 0.59
▸ NR1I2 O75469 10/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ HRH1 P35367 1/20 0.44
▸ CCR3 P51677 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL3035486 1.00 CACNA1B (0.59) CACNA1BNR1I2CYP3A4HRH1CCR3
SCHEMBL3037896 0.96 CACNA1B (0.65) CACNA1BNR1I2CYP3A4HRH1CCR3
SCHEMBL3036248 0.94 CACNA1B (0.55) CACNA1BNR1I2CYP3A4HRH1CCR3
SCHEMBL3134888 0.91 CACNA1B (0.61) CACNA1BNR1I2CYP3A4HRH1CCR3
SCHEMBL14701452 0.91 CACNA1B (0.64) CACNA1BNR1I2CYP3A4HRH1CCR3
SCHEMBL3030486 0.91 CACNA1B (0.61) CACNA1BNR1I2CYP3A4HRH1CCR3
SCHEMBL3039844 0.86 CACNA1B (0.67) CACNA1BNR1I2CYP3A4
SCHEMBL13221054 0.86 CACNA1B (0.57) CACNA1BNR1I2CYP3A4HRH1CCR3
SCHEMBL3036674 0.86 CACNA1B (0.70) CACNA1BNR1I2CYP3A4
SCHEMBL3040920 0.85 CACNA1B (0.68) CACNA1BNR1I2CYP3A4HRH1CCR3

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-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO disclosed