SCHEMBL3206430

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.72

▸	NPY5R	Q15761	6/20	0.62

▸	NPY4R	P50391	6/20	0.62

▸	NPY1R	P25929	5/20	0.62

▸	KISS1R	Q969F8	9/20	0.61

▸	OPRM1	P35372	1/20	0.61

▸	OPRD1	P41143	1/20	0.61

▸	OPRK1	P41145	1/20	0.61

▸	NPY2R	P49146	3/20	0.60

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
SCHEMBL3260422	1.00	TFPI (0.72)	TFPINPY5RNPY4RNPY1RKISS1R
SCHEMBL31141452	0.91	KISS1R (0.71)	NPY5RNPY4RNPY1RKISS1ROPRM1
SCHEMBL30436216	0.91	TFPI (0.79)	TFPI
SCHEMBL31141451	0.90	TFPI (0.65)	TFPINPY5RNPY4RNPY1RKISS1R
SCHEMBL31419699	0.90	TFPI (0.71)	TFPI
SCHEMBL31141457	0.88	TFPI (0.70)	TFPINPY5RNPY4RNPY1RKISS1R
SCHEMBL30512629	0.88	TFPI (0.63)	TFPINPY5RNPY4RNPY1ROPRM1
SCHEMBL30601869	0.88	TFPI (0.79)	TFPI
SCHEMBL30432906	0.87	TFPI (0.69)	TFPIOPRM1OPRD1OPRK1
SCHEMBL30496422	0.87	TFPI (0.71)	TFPIOPRM1OPRD1OPRK1

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-20100047762-A1	METHOD TO MONITOR DRUG EFFICACY IN DIABETIC PATIENTS USING AN ASSAY FOR 1,5-ANHYDRO-D-GLUCITOL	NIPPON KAYAKU KABUSHIKI KAISHA (JP)	2010-02-25	—	—	US	disclosed