SCHEMBL11926078

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSCC(=O)C[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)N[C@@H](CC(=O)O)C(=O)C1)C(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)C[C@H]1CSSC[C@@H](C(=O)NCC(=O)O)CC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	OXTR	P30559	5/20	0.38

▸	AVPR1A	P37288	5/20	0.38

▸	AVPR1B	P47901	4/20	0.38

▸	MC4R	P32245	1/20	0.37

▸	MC5R	P33032	1/20	0.37

▸	MC3R	P41968	1/20	0.37

▸	MC1R	Q01726	1/20	0.37

▸	ESR1	P03372	3/20	0.37

▸	MDM2	Q00987	3/20	0.35

▸	PRMT5	O14744	4/20	0.35

▸	WDR77	Q9BQA1	4/20	0.35

▸	GRB2	P62993	2/20	0.35

▸	ITGB3	P05106	1/20	0.34

▸	ITGAV	P06756	1/20	0.34

▸	MEN1	O00255	1/20	0.34

▸	PGR	P06401	1/20	0.34

▸	ESR2	Q92731	1/20	0.34

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
SCHEMBL13649552	0.77	MDM2 (0.51)	OXTRAVPR1AAVPR1BESR1MDM2
SCHEMBL12082722	0.72	AVPR2 (0.33)	OXTRAVPR1AAVPR1B
SCHEMBL11926081	0.72	NPY4R (0.40)	ITGB3ITGAV
SCHEMBL13703202	0.70	MC4R (0.52)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL12082709	0.70	AVPR2 (0.34)	OXTRAVPR1AAVPR1B
SCHEMBL13703200	0.69	MC4R (0.52)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL11926098	0.69	MC4R (0.44)	OXTRAVPR1AAVPR1BMC4RMC5R
SCHEMBL13649555	0.68	MC4R (0.56)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL13649564	0.68	MC4R (0.55)	MC4RMC5RMC3RMC1RITGB3
SCHEMBL11929552	0.67	ITGB3 (0.57)	MC4RMC5RMC3RMC1RGRB2

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-8236283-B2	Optical imaging	GE HEALTHCARE AS (NO)	2012-08-07	—	—	US	disclosed