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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL12095969

CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccc(F)c(CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)sc56)c4)CC3)C2)cs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.77
▸ CHRM3 P20309 9/20 0.77
▸ CHRM2 P08172 8/20 0.51
▸ ADRB1 P08588 8/20 0.45
▸ DRD2 P14416 7/20 0.45
▸ ADRA1D P25100 7/20 0.45
▸ DRD3 P35462 1/20 0.41

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
SCHEMBL1276054 0.97 ADRB2 (0.81) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL1276374 0.97 ADRB2 (0.81) ADRB2CHRM3CHRM2ADRB1DRD2
Fumaric Acid SCHEMBL2143201 0.95 ADRB2 (0.77) ADRB2CHRM3CHRM2ADRB1DRD2
Fumaric Acid SCHEMBL2143189 0.95 ADRB2 (0.77) ADRB2CHRM3CHRM2ADRB1DRD2
Fumaric Acid SCHEMBL1276359 0.95 ADRB2 (0.77) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL10241928 0.93 ADRB2 (0.74) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL10242789 0.92 ADRB2 (0.72) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL10242229 0.91 ADRB2 (0.71) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL1289938 0.90 ADRB2 (0.71) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL10241948 0.89 ADRB2 (0.68) ADRB2CHRM3CHRM2ADRB1DRD2

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
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 — — EP claimed