Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6056789

O=C(Nc1ccccc1C(F)(F)F)N(CCCN1CCC(Cc2ccccc2)CC1)Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.59
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
UBE2M P61081 2/20 0.53
DCUN1D1 Q96GG9 2/20 0.53
OPRM1 P35372 1/20 0.50
GAA P10253 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 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 SCHEMBL6056811 0.90 FAAH (0.52) CCR3MEN1LMNAKMT2AUBE2M
Trifluoroacetic Acid SCHEMBL6056785 0.88 OPRM1 (0.48) CCR3UBE2MDCUN1D1OPRM1SLC6A2
Trifluoroacetic Acid SCHEMBL6056774 0.87 OPRM1 (0.48) CCR3MEN1KMT2AUBE2MDCUN1D1
Trifluoroacetic Acid SCHEMBL6056668 0.86 CCR3 (0.55) CCR3MEN1KMT2AOPRM1SLC6A2
Trifluoroacetic Acid SCHEMBL6056769 0.85 OPRM1 (0.53) CCR3OPRM1SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL6056688 0.85 OPRM1 (0.51) CCR3UBE2MDCUN1D1OPRM1SLC6A2
Trifluoroacetic Acid SCHEMBL6056699 0.85 CCR3 (0.56) CCR3UBE2MDCUN1D1OPRM1
Trifluoroacetic Acid SCHEMBL6056855 0.84 CCR3 (0.53) CCR3MEN1KMT2AUBE2MDCUN1D1
Trifluoroacetic Acid SCHEMBL6056733 0.84 CCR3 (0.53) CCR3MEN1KMT2AUBE2MDCUN1D1
Trifluoroacetic Acid SCHEMBL6056672 0.84 OPRM1 (0.55) CCR3OPRM1SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219605-B1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-10 EP disclosed
US-6787650-B1 CCR5 ANTAGONISTIC ACTIVITY; SUCH AS N-(3-(4-BENZYL-1-PIPERIDINYL)PROPYL)-N'-4-CHLOROPHENYL)-N-PHENYLUREA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-07 US disclosed
EP-1219605-A1 UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed