Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7415397

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CCNC)C1.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.74

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 SCHEMBL9309390 1.00 TACR1 (0.74) TACR1
SCHEMBL7416264 0.95 TACR1 (0.81) TACR1
SCHEMBL3515351 0.85 TACR1 (1.00) TACR1
SCHEMBL3519229 0.84 TACR1 (0.83) TACR1
SCHEMBL3517101 0.83 TACR1 (0.81) TACR1
SCHEMBL9308928 0.82 TACR1 (0.79) TACR1
SCHEMBL7417043 0.82 TACR1 (0.79) TACR1
SCHEMBL7425133 0.81 TACR1 (1.00) TACR1
SCHEMBL7417504 0.81 TACR1 (1.00) TACR1
SCHEMBL7421876 0.80 TACR1 (1.00) TACR1

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
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed