SCHEMBL4056099

CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TAS1R3	Q7RTX0	1/20	0.44

▸	TAS1R1	Q7RTX1	1/20	0.44

▸	CTSS	P25774	4/20	0.41

▸	CTSL	P07711	3/20	0.41

▸	CTSK	P43235	2/20	0.41

▸	TRPV4	Q9HBA0	1/20	0.40

▸	UTS2R	Q9UKP6	1/20	0.39

▸	DRD2	P14416	3/20	0.38

▸	DRD3	P35462	3/20	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
SCHEMBL4057132	0.91	TRPV4 (0.49)	TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL7995086	0.87	TAS1R3 (0.41)	TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL4056496	0.81	TAS1R3 (0.46)	TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL4059766	0.80	DRD2 (0.37)	TAS1R3TAS1R1DRD2
SCHEMBL8006983	0.79	TRPV4 (0.52)	TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL4058066	0.77	MMP2 (0.36)	TAS1R3TAS1R1DRD2DRD3
SCHEMBL16457230	0.77	TAS1R3 (0.45)	TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL4059049	0.76	TRPV4 (0.53)	TAS1R3TAS1R1CTSSCTSLCTSK
SCHEMBL4049808	0.76	TRPV4 (0.70)	TAS1R3TAS1R1CTSSCTSKTRPV4
SCHEMBL1549475	0.73	TAS1R3 (0.52)	TAS1R3TAS1R1CTSSCTSLCTSK

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
WO-2009111680-A1	TRPV4 ANTAGONISTS	SMITHLINE BEECHAM CORPORATION (US)	2009-09-11	—	—	WO	claimed
WO-2009111680-A1	TRPV4 ANTAGONISTS	SMITHLINE BEECHAM CORPORATION (US)	2009-09-11	—	—	WO	disclosed