Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL23922747

NCCNC(=O)c1ccc2c(c1)Sc1cc(C(F)(F)F)cc(NC3CCN(CCN)CC3)c1N2.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 7/20 0.37
▸ CHRM4 P08173 4/20 0.37
▸ CHRM2 P08172 3/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ SLC6A5 Q9Y345 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ DRD4 P21917 3/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PLD2 O14939 1/20 0.35
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL21214284 0.97 SLC6A5 (0.38) CCR2CHRM4SLC6A5DRD2DRD3
SCHEMBL23936878 0.92 CD274 (0.38) CCR2CHRM4SLC6A5DRD2DRD3
Trifluoroacetic Acid SCHEMBL21196623 0.87 CHRM2 (0.39) CHRM4CHRM2CHRM1SLC6A5DRD4
Trifluoroacetic Acid SCHEMBL21196768 0.87 CHRM2 (0.39) CHRM4CHRM2CHRM1SLC6A5DRD4
SCHEMBL19745998 0.85 SLC6A5 (0.37) CCR2SLC6A5
SCHEMBL21214241 0.85 RHOC (0.40) CCR2SLC6A5DRD4HTR6EPHX2
Hydrochloric Acid SCHEMBL21196641 0.84 RHOC (0.40) CCR2SLC6A5DRD4HTR6
SCHEMBL21196583 0.81 RHOC (0.37) —
SCHEMBL21196739 0.81 GRIN2B (0.34) CHRM4CHRM2CHRM1SLC6A5DRD2
SCHEMBL21214268 0.81 GRIN2B (0.34) CHRM4CHRM2CHRM1SLC6A5DRD2

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
EP-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 — — EP disclosed
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