SCHEMBL11659111

CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	1/20	0.60

▸	IL23R	Q5VWK5	15/20	0.58

▸	PRMT1	Q99873	1/20	0.57

▸	GLP1R	P43220	2/20	0.56

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
SCHEMBL11659049	1.00	CXCR4 (0.60)	CXCR4IL23RPRMT1GLP1R
SCHEMBL11658658	0.94	IL23R (0.60)	IL23RPRMT1GLP1R
SCHEMBL11658721	0.94	IL23R (0.60)	IL23RPRMT1GLP1R
SCHEMBL11722764	0.94	IL23R (0.60)	IL23RPRMT1GLP1R
SCHEMBL11775668	0.93	IL23R (0.60)	IL23RPRMT1
SCHEMBL11773766	0.93	IL23R (0.60)	IL23RPRMT1
SCHEMBL11521944	0.93	IL23R (0.58)	CXCR4IL23RPRMT1
SCHEMBL11661311	0.93	IL23R (0.58)	IL23RGLP1R
SCHEMBL11661276	0.93	IL23R (0.58)	IL23RGLP1R
SCHEMBL11522035	0.92	IL23R (0.60)	CXCR4IL23R

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-4081530-A	Extended chain derivatives of somatostatin	AYERST, MCKENNA & HARRISON LIMITED (CA)	1978-03-28	—	—	US	disclosed