Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL632228

NC1CCC(N(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C2CNC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.60

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.60
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GPR139 Q6DWJ6 1/20 0.44
KCNH2 Q12809 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
SCHEMBL629157 0.83 CCR2 (0.48) CCR2ALDH1A1POLBKCNH2
SCHEMBL633234 0.83 CCR2 (0.53) CCR2KCNH2
SCHEMBL3719908 0.83 CCR2 (0.61) CCR2KCNH2
SCHEMBL16266095 0.82 CCR2 (0.61) CCR2GPR139KCNH2
SCHEMBL627758 0.81 CCR2 (0.49) CCR2KCNH2
SCHEMBL631873 0.80 CCR2 (0.46) CCR2KCNH2
SCHEMBL633314 0.80 CCR2 (0.51) CCR2KCNH2
SCHEMBL634029 0.80 CCR2 (0.52) CCR2KCNH2
SCHEMBL633159 0.80 CCR2 (0.53) CCR2KCNH2
SCHEMBL634407 0.80 CCR2 (0.62) CCR2KCNH2

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-2419418-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed