Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7484649

Nc1c(Br)cc(C(=O)C[C@@H](N)C(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)cc1Br.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.48
RAMP1 O60894 4/20 0.48
CYP3A4 P08684 2/20 0.38

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
SCHEMBL6480236 0.94 CALCRL (0.47) CALCRLRAMP1CYP3A4
SCHEMBL6480231 0.94 CALCRL (0.47) CALCRLRAMP1CYP3A4
Trifluoroacetic Acid SCHEMBL6478833 0.91 CALCRL (0.55) CALCRLRAMP1CYP3A4
SCHEMBL6478063 0.87 CALCRL (0.49) CALCRLCYP3A4
SCHEMBL6478065 0.87 CALCRL (0.49) CALCRLCYP3A4
SCHEMBL6478703 0.82 CALCRL (0.46) CALCRLRAMP1CYP3A4
SCHEMBL6478705 0.82 CALCRL (0.46) CALCRLRAMP1CYP3A4
SCHEMBL6479925 0.81 CALCRL (0.45) CALCRLRAMP1CYP3A4
SCHEMBL6479928 0.81 CALCRL (0.45) CALCRLRAMP1CYP3A4
SCHEMBL6477591 0.81 CALCRL (0.59) CALCRLRAMP1CYP3A4

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-1252153-A1 SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-10-30 EP disclosed
WO-2001049676-A1 SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-12 WO disclosed