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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3427258

CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CC(=O)NCc1ccc(F)c(-c2cccc(CN3CCN[C@@H](C)C3)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 18/20 0.51
▸ CHRM2 P08172 7/20 0.47
▸ CHRM1 P11229 7/20 0.47
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL13760228 0.97 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2
Trifluoroacetic Acid SCHEMBL3430699 0.95 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2
SCHEMBL3429080 0.93 CHRM3 (0.55) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4360522 0.93 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2
SCHEMBL3424807 0.93 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2
SCHEMBL13760164 0.92 CHRM3 (0.54) CHRM3CHRM2CHRM1KCNH2
SCHEMBL3424860 0.92 CHRM3 (0.53) CHRM3CHRM2CHRM1KCNH2
SCHEMBL3428706 0.91 CHRM3 (0.55) CHRM3CHRM2CHRM1KCNH2
SCHEMBL13760161 0.90 CHRM3 (0.46) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4352248 0.90 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249646-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS Glaxo Group Limited (GB) 2010-11-17 — — EP disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 — — WO disclosed