SCHEMBL26961880

CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)c2ccc(-c3nnc(C4(NC(=O)OC(C)(C)C)CCCC4)o3)cc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KCNN4	O15554	1/20	0.33

▸	CTSL	P07711	5/20	0.33

▸	CTSB	P07858	5/20	0.33

▸	CTSS	P25774	5/20	0.33

▸	CTSK	P43235	5/20	0.33

▸	GCGR	P47871	6/20	0.32

▸	GIPR	P48546	3/20	0.32

▸	GRM2	Q14416	1/20	0.32

▸	PDK2	Q15119	2/20	0.31

▸	DPP4	P27487	1/20	0.31

▸	NPY1R	P25929	1/20	0.31

▸	CYP3A4	P08684	1/20	0.30

▸	CYP2C9	P11712	1/20	0.30

▸	CYP2C19	P33261	1/20	0.30

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
SCHEMBL26961664	0.88	GCGR (0.35)	KCNN4CTSLCTSBCTSSCTSK
SCHEMBL31143125	0.87	SRC (0.36)	CTSLCTSBCTSSCTSKGCGR
SCHEMBL26962505	0.85	ABHD6 (0.33)	GCGRGIPRGRM2PDK2NPY1R
SCHEMBL26961950	0.84	GRM2 (0.32)	KCNN4GCGRGRM2
SCHEMBL26961949	0.83	GRM2 (0.32)	KCNN4GCGRGIPRGRM2NPY1R
SCHEMBL26961640	0.82	NPY1R (0.35)	NPY1R
SCHEMBL31628294	0.82	P2RY14 (0.34)	GCGRNPY1R
SCHEMBL26961932	0.81	NPY1R (0.32)	PDK2NPY1R
SCHEMBL26962164	0.81	PDK2 (0.33)	PDK2NPY1R
SCHEMBL26961809	0.80	NPY1R (0.32)	NPY1R

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-4291558-A1	BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER	F. Hoffmann-La Roche AG (CH)	2023-12-20	—	—	EP	disclosed