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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4685232

CCCN(CC1CCN(C(=O)N(C)C)CC1)C(C)Cc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.43
▸ ACKR3 P25106 12/20 0.42
▸ PPARA Q07869 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ GCGR P47871 1/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 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
Trifluoroacetic Acid SCHEMBL4682096 0.94 NR1H4 (0.43) NR1H4ACKR3PPARAPPARGKCNK9
Trifluoroacetic Acid SCHEMBL4679830 0.94 TSHR (0.46) NR1H4ACKR3PPARAPPARGKCNK9
Trifluoroacetic Acid SCHEMBL4678472 0.93 NR1H4 (0.44) NR1H4ACKR3PPARAPPARGKCNK9
Trifluoroacetic Acid SCHEMBL4685661 0.93 NR1H4 (0.43) NR1H4ACKR3PPARAPPARGKCNK9
Trifluoroacetic Acid SCHEMBL4682457 0.93 NR1H4 (0.43) NR1H4ACKR3PPARAPPARGKCNK9
Trifluoroacetic Acid SCHEMBL4682510 0.92 NR1H4 (0.43) NR1H4ACKR3PPARAPPARGKCNK9
Trifluoroacetic Acid SCHEMBL4683129 0.92 NR1H4 (0.43) NR1H4ACKR3PPARAPPARGKCNK9
Trifluoroacetic Acid SCHEMBL4678584 0.91 ACKR3 (0.44) NR1H4ACKR3PPARAPPARGKCNK9
Trifluoroacetic Acid SCHEMBL4683184 0.91 NR1H4 (0.42) NR1H4ACKR3PPARAPPARGKCNK9
Trifluoroacetic Acid SCHEMBL4679858 0.91 NR1H4 (0.42) NR1H4ACKR3PPARAPPARGKCNK9

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-1058680-B1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 — — EP disclosed
US-6319920-B1 MUSCARINIC RECEPTOR ANTAGONIST USED IN GASTROINTESTINAL, GENITOURINARY TRACT, RESPIRATORY TRACT, CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM DISORDERS AND IN ANESTHESIOLOGY AND OPHTHALMOLOGY SYNTEX (U.S.A.) LLC 2001-11-20 — — US disclosed