SCHEMBL11522035

C[C@H](NC(=O)CNCCN)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 0.61

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	18/20	0.60

▸	CXCR4	P61073	1/20	0.55

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
SCHEMBL11519801	0.96	IL23R (0.60)	IL23R
SCHEMBL11565156	0.96	IL23R (0.60)	IL23R
SCHEMBL11524057	0.96	IL23R (0.60)	IL23R
SCHEMBL11658658	0.94	IL23R (0.60)	IL23R
SCHEMBL11658721	0.94	IL23R (0.60)	IL23R
SCHEMBL11722764	0.94	IL23R (0.60)	IL23R
SCHEMBL11521944	0.94	IL23R (0.58)	IL23RCXCR4
SCHEMBL11661276	0.94	IL23R (0.58)	IL23R
SCHEMBL11661311	0.94	IL23R (0.58)	IL23R
SCHEMBL11773766	0.93	IL23R (0.60)	IL23R

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-4145337-A	SOMATOSTATINS, ANTISECRETORY	HOFFMANN-LA ROCHE INC. (US)	1979-03-20	—	—	US	disclosed