Trifluoroacetic Acid

SCHEMBL9040468

CCOC(=O)CN1C(=O)C(N)C(c2ccccc2)=Cc2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CCKBR	P32239	3/20	0.44

▸	CCKAR	P32238	1/20	0.44

▸	GAA	P10253	1/20	0.40

▸	NPSR1	Q6W5P4	1/20	0.40

▸	CYP1A2	P05177	2/20	0.39

▸	CYP2C9	P11712	2/20	0.39

▸	CYP2C19	P33261	2/20	0.39

▸	TSHR	P16473	2/20	0.39

▸	HTT	P42858	2/20	0.38

▸	MAPT	P10636	1/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.38

▸	PPARG	P37231	1/20	0.38

▸	MEN1	O00255	1/20	0.38

▸	KMT2A	Q03164	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.

Compound	similarity	top predicted	shared targets
Trifluoroacetic Acid SCHEMBL9039779	0.80	GABRP (0.39)	CCKBRCCKAR
SCHEMBL9040407	0.77	CCKBR (0.44)	CCKBRCCKARGAANPSR1
SCHEMBL8881603	0.74	LMNA (0.49)	CCKBRCCKARGAANPSR1TSHR
SCHEMBL10498972	0.74	LMNA (0.49)	CCKBRCCKARGAANPSR1TSHR
SCHEMBL9040898	0.72	CCKBR (0.50)	CCKBRCCKARTSHRMAPT
SCHEMBL8536760	0.71	CCKBR (0.70)	CCKBRCCKAR
SCHEMBL9865895	0.71	CCKBR (0.70)	CCKBRCCKAR
SCHEMBL8536757	0.71	CCKBR (0.70)	CCKBRCCKAR
SCHEMBL9039861	0.70	CCKBR (0.56)	CCKBRCCKARGAANPSR1HTT
SCHEMBL9042104	0.69	GABRA1 (0.46)	CCKBRHTTMAPT

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0703222-A1	3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF	YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP)	1996-03-27	—	—	EP	disclosed