Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4328974

COC1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)(C)O)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.74
KCNH2 Q12809 7/20 0.74
CCR5 P51681 4/20 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
SCHEMBL4340652 0.97 CCR2 (0.78) CCR2KCNH2CCR5
SCHEMBL13613431 0.97 CCR2 (0.78) CCR2KCNH2CCR5
SCHEMBL4340648 0.97 CCR2 (0.78) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL5029972 0.91 CCR2 (0.61) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL4144651 0.90 CCR2 (0.77) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL4153067 0.88 CCR2 (0.75) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL4147670 0.88 CCR2 (0.74) CCR2KCNH2CCR5
SCHEMBL13335004 0.88 CCR2 (0.64) CCR2KCNH2CCR5
SCHEMBL3331222 0.88 CCR2 (0.64) CCR2KCNH2CCR5
SCHEMBL3331228 0.88 CCR2 (0.64) CCR2KCNH2CCR5

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-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 US disclosed