SCHEMBL18790633

CC[C@H](NC(=O)CNC(=O)CNC(=O)CCCCCNC(=O)CCCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NC(C(=O)N[C@H](CCCCN=[N+]=[N-])C(N)=O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.60

▸	GLP1R	P43220	5/20	0.58

▸	NPBWR1	P48145	12/20	0.54

▸	GCGR	P47871	1/20	0.52

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
SCHEMBL21168599	0.85	GLP1R (0.52)	TFPIGLP1RGCGR
SCHEMBL18790634	0.81	GLP1R (0.53)	TFPIGLP1RNPBWR1
SCHEMBL29431940	0.79	TFPI (0.75)	TFPINPBWR1
SCHEMBL30176429	0.77	GLP1R (0.61)	TFPIGLP1R
SCHEMBL31385126	0.77	TFPI (0.63)	TFPIGLP1R
SCHEMBL14479420	0.77	NPY4R (0.59)	NPBWR1
SCHEMBL14479330	0.77	NPY4R (0.59)	NPBWR1
SCHEMBL29836289	0.77	TFPI (0.58)	TFPIGLP1R
SCHEMBL30168728	0.76	TFPI (0.58)	TFPIGLP1R
SCHEMBL30176475	0.76	TFPI (0.64)	TFPIGLP1R

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-20170115303-A1	CYSTEINE REACTIVE PROBES AND USES THEREOF	THE SCRIPPS RESEARCH INSTITUTE	2017-04-27	—	—	US	disclosed