SCHEMBL30069086

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.61

▸	PTH1R	Q03431	2/20	0.49

▸	RXFP1	Q9HBX9	1/20	0.48

▸	NR3C1	P04150	2/20	0.48

▸	KISS1R	Q969F8	3/20	0.47

▸	VIPR1	P32241	1/20	0.47

▸	GLP1R	P43220	2/20	0.47

▸	ECE1	P42892	1/20	0.47

▸	MUS81	Q96NY9	1/20	0.47

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
SCHEMBL30069111	0.93	TFPI (0.59)	TFPIRXFP1KISS1R
SCHEMBL30069083	0.93	TFPI (0.52)	TFPI
SCHEMBL31688310	0.88	TFPI (0.57)	TFPIRXFP1GLP1RECE1MUS81
SCHEMBL30069100	0.88	TFPI (0.48)	TFPI
SCHEMBL30262095	0.87	TFPI (0.54)	TFPIRXFP1VIPR1
SCHEMBL30262049	0.87	TFPI (0.50)	TFPINR3C1VIPR1GLP1RECE1
SCHEMBL30262036	0.86	VIPR1 (0.52)	TFPIKISS1RVIPR1
SCHEMBL30069130	0.86	TFPI (0.50)	TFPIKISS1R
SCHEMBL30069080	0.86	TFPI (0.50)	TFPIKISS1R
SCHEMBL30069133	0.86	TFPI (0.48)	TFPI

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
US-11524045-B2	Peptides for dry eye disease	ALLYSTA PHARMACEUTICALS, INC. (US)	2022-12-13	—	—	US	disclosed