SCHEMBL3215006

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

nearest known ligand 0.40

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.38

▸	MAPK9	P45984	1/20	0.38

▸	MAPK10	P53779	1/20	0.38

▸	IL23R	Q5VWK5	6/20	0.38

▸	HASPIN	Q8TF76	1/20	0.37

▸	VIPR2	P41587	4/20	0.37

▸	VIPR1	P32241	2/20	0.37

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
SCHEMBL3212582	0.91	MAPK8 (0.41)	MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL3209141	0.89	FURIN (0.38)	IL23RHASPINVIPR2VIPR1
SCHEMBL6117770	0.84	NPY4R (0.44)	VIPR2VIPR1
SCHEMBL30811158	0.83	BACE1 (0.41)	—
SCHEMBL30903460	0.83	PDCD1LG2 (0.42)	IL23R
SCHEMBL3203608	0.82	BACE1 (0.39)	IL23R
SCHEMBL2194048	0.82	NPY5R (0.38)	IL23RHASPINVIPR2VIPR1
SCHEMBL30681588	0.81	VIPR2 (0.49)	MAPK8MAPK9MAPK10IL23RVIPR2
SCHEMBL2193481	0.81	NPY4R (0.45)	—
SCHEMBL3264213	0.81	NPY4R (0.40)	—

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