SCHEMBL8973385

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	8/20	0.64

▸	GLP1R	P43220	9/20	0.63

▸	NR3C1	P04150	2/20	0.63

▸	GCGR	P47871	1/20	0.62

▸	CCKBR	P32239	1/20	0.61

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
SCHEMBL9237225	0.95	IL23R (0.63)	IL23RGLP1R
SCHEMBL9237145	0.95	IL23R (0.63)	IL23RGLP1R
SCHEMBL31664372	0.91	GLP1R (0.69)	GLP1RNR3C1GCGR
SCHEMBL31664363	0.91	GLP1R (0.67)	GLP1RNR3C1GCGR
SCHEMBL31664375	0.90	GLP1R (0.68)	IL23RGLP1RNR3C1GCGR
SCHEMBL30823856	0.89	GLP1R (0.76)	GLP1RNR3C1GCGR
SCHEMBL30587681	0.89	GLP1R (0.72)	GLP1R
SCHEMBL30620993	0.89	GLP1R (0.78)	GLP1RNR3C1GCGR
SCHEMBL30887980	0.88	GLP1R (0.63)	IL23RGLP1RNR3C1GCGR
SCHEMBL30658280	0.88	GLP1R (0.74)	GLP1RGCGR

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-5486595-A	Tumor necrosis factor inhibitors	CENTECOR, INC. (US)	1996-01-23	—	—	US	disclosed