Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL7870898

CCCCN1CCC(c2c[nH]c3cccc(OCC)c23)CC1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.43

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.43
ADRA1D P25100 5/20 0.42
CCR2 P41597 3/20 0.41
DRD2 P14416 2/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
Trifluoromethanesulfonic Acid SCHEMBL7866391 0.82 DRD2 (0.44) DRD2SLC6A4
Trifluoromethanesulfonic Acid SCHEMBL7870840 0.80 SLC6A4 (0.50) CCR2DRD2SLC6A4HTR2AHTR7
Trifluoromethanesulfonic Acid SCHEMBL7866373 0.80 ADRB3 (0.39) DRD2
Trifluoromethanesulfonic Acid SCHEMBL7867294 0.80 DRD2 (0.52) ADRA1DDRD2SLC6A4HTR2AHTR7
Trifluoromethanesulfonic Acid SCHEMBL7859764 0.80 HRH2 (0.44) ADRA1DDRD2SLC6A4HTR2AHTR7
SCHEMBL7866379 0.76 DRD2 (0.42) DRD2
Trifluoromethanesulfonic Acid SCHEMBL7867395 0.76 HTR1A (0.43) DRD2SLC6A4
Trifluoromethanesulfonic Acid SCHEMBL7867573 0.74 HTR2A (0.35) DRD2HTR2A
Trifluoromethanesulfonic Acid SCHEMBL7870572 0.73 HRH2 (0.44) DRD2SLC6A4HTR2A
Trifluoromethanesulfonic Acid SCHEMBL7866408 0.71 HRH2 (0.38) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed