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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4831441

CC(NC(=O)C1(c2cccnc2)CCCC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 16/20 0.53
▸ ITGA4 P13612 2/20 0.48
▸ ITGB7 P26010 2/20 0.48
▸ CNR2 P34972 10/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ FDFT1 P37268 1/20 0.43

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
SCHEMBL14064694 0.95 CNR1 (0.53) CNR1ITGA4ITGB7CNR2ALDH1A1
SCHEMBL4831230 0.95 CNR1 (0.53) CNR1ITGA4ITGB7CNR2ALDH1A1
SCHEMBL4823270 0.93 CNR1 (0.58) CNR1ITGA4ITGB7CNR2ALDH1A1
SCHEMBL4827955 0.89 CNR1 (0.60) CNR1ITGA4ITGB7CNR2
SCHEMBL5239744 0.86 CNR1 (0.57) CNR1ITGA4ITGB7CNR2
SCHEMBL4831420 0.83 CNR1 (0.55) CNR1CNR2FDFT1
SCHEMBL14064714 0.82 CNR1 (0.59) CNR1CNR2
SCHEMBL4825607 0.82 CNR1 (0.59) CNR1CNR2
SCHEMBL4826924 0.82 CNR1 (0.59) CNR1CNR2
SCHEMBL4825699 0.82 CNR1 (0.61) CNR1ITGA4ITGB7CNR2

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
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 — — US disclosed