Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20139838

C[C@H]1CN(c2ccc3[nH]ccc3c2)CCN1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
KHK P50053 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM5 P08912 1/20 0.37
HSD11B1 P28845 1/20 0.37
MAPK14 Q16539 1/20 0.37
HTR7 P34969 3/20 0.37
CHRM2 P08172 1/20 0.37
BCL2A1 Q16548 2/20 0.36

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
SCHEMBL20157447 0.88 MAPT (0.45) MAPTHRH4KHKSLC6A2SLC6A4
SCHEMBL20157184 0.79 MAPT (0.46) MAPTHRH4KHKHTR7BCL2A1
Trifluoroacetic Acid SCHEMBL20141711 0.76 HTR2C (0.39) HRH4
SCHEMBL20139839 0.72 MAPT (0.38) MAPTKHKHSD11B1BCL2A1
Trifluoroacetic Acid SCHEMBL23855508 0.70 MAPT (0.47) MAPT
Trifluoroacetic Acid SCHEMBL23855507 0.70 MAPT (0.47) MAPT
SCHEMBL4588673 0.70 MAPT (0.47) MAPTHRH4KHKHSD11B1BCL2A1
SCHEMBL4588676 0.70 MAPT (0.47) MAPTHRH4KHKHSD11B1BCL2A1
SCHEMBL20139337 0.70 SUV39H2 (0.47) CHRM1CHRM3CHRM5
SCHEMBL20139336 0.70 SUV39H2 (0.47) CHRM1CHRM3CHRM5

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed