Trifluoroacetamide

Trifluoroacetamide

SCHEMBL8208560

CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C(=O)O.NC(=O)C(F)(F)F.O=C(O)C(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Trifluoroacetamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.54
MME P08473 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
Trifluoroacetamide SCHEMBL8247738 0.98 ACE (0.56) ACEMME
2,2,2-Trifluoroethanaminium SCHEMBL8208563 0.93 ACE (0.56) ACEMME
2,2,2-Trifluoroethanaminium SCHEMBL8247740 0.91 ACE (0.58) ACEMME
SCHEMBL5565611 0.91 ACE (0.62) ACE
SCHEMBL5569748 0.84 ACE (0.54) ACE
SCHEMBL7044444 0.83 ACE (0.53) ACE
SCHEMBL7040150 0.82 ACE (0.54) ACE
SCHEMBL7042902 0.81 KDM4E (0.55) ACE
SCHEMBL10741668 0.80 ACE (0.68) ACE
SCHEMBL5568411 0.80 ACE (0.55) ACEMME

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-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 EP disclosed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 WO disclosed