2,2,2-Trifluoroethanaminium

SCHEMBL8254767

CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccc(OCc3ccccc3)cc2C[C@@H]1C(=O)O.NCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GHSR	Q92847	1/20	0.42

▸	HDAC8	Q9BY41	1/20	0.41

▸	ACE	P12821	4/20	0.41

▸	BCL2	P10415	1/20	0.41

▸	PTPN1	P18031	1/20	0.41

▸	SCN9A	Q15858	2/20	0.39

▸	AGTR2	P50052	1/20	0.39

▸	YAP1	P46937	1/20	0.39

▸	MME	P08473	1/20	0.39

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
SCHEMBL5568606	0.94	HDAC8 (0.44)	GHSRHDAC8ACEBCL2PTPN1
SCHEMBL5563160	0.94	HDAC8 (0.44)	GHSRHDAC8ACEBCL2PTPN1
SCHEMBL5563142	0.89	GHSR (0.43)	GHSRHDAC8BCL2PTPN1SCN9A
2,2,2-Trifluoroethanaminium SCHEMBL8207820	0.88	SCN9A (0.35)	HDAC8ACESCN9A
2,2,2-Trifluoroethanaminium SCHEMBL8213280	0.85	SCN9A (0.40)	SCN9A
SCHEMBL5563821	0.84	KDM4E (0.49)	GHSRHDAC8
SCHEMBL5568442	0.84	SCN9A (0.37)	ACESCN9A
SCHEMBL5563792	0.84	SCN9A (0.37)	ACESCN9A
SCHEMBL5568646	0.83	HDAC8 (0.42)	HDAC8
SCHEMBL5566971	0.83	HDAC8 (0.42)	HDAC8

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1042288-A1	TRIPEPTIDYL PEPTIDASE INHIBITORS	INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR)	2000-10-11	—	—	EP	disclosed
WO-1999033801-A1	TRIPEPTIDYL PEPTIDASE INHIBITORS	INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR)	1999-07-08	—	—	WO	disclosed