Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1727893

Cc1cc(NC(=O)N2CCN(C)CC2)ccc1N1CCC(N2CCCC2C)C1.O=C(O)C(F)(F)F

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.88
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL1730409 0.94 HRH3 (0.77) HRH3
SCHEMBL1729723 0.94 HRH3 (1.00) HRH3HTR1AHTR1DHTR1B
Trifluoroacetic Acid SCHEMBL1730706 0.93 HRH3 (0.88) HRH3
Trifluoroacetic Acid SCHEMBL1730317 0.90 HRH3 (0.71) HRH3
SCHEMBL1728296 0.87 HRH3 (0.87) HRH3
Trifluoroacetic Acid SCHEMBL1730328 0.87 HRH3 (0.87) HRH3
SCHEMBL1729765 0.87 HRH3 (1.00) HRH3
Trifluoroacetic Acid SCHEMBL222825 0.86 HRH3 (0.65) HRH3
Trifluoroacetic Acid SCHEMBL1728301 0.85 HRH3 (0.89) HRH3
Trifluoroacetic Acid SCHEMBL223454 0.84 HRH3 (0.62) HRH3

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-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP disclosed