SCHEMBL9118065

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	RXFP1	Q9HBX9	1/20	0.57

▸	IL23R	Q5VWK5	2/20	0.54

▸	BECN1	Q14457	2/20	0.53

▸	NPBWR1	P48145	2/20	0.53

▸	GLP1R	P43220	4/20	0.53

▸	CRHR1	P34998	1/20	0.51

▸	CRHR2	Q13324	1/20	0.51

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
SCHEMBL30900775	0.91	TFPI (0.69)	TFPIRXFP1BECN1NPBWR1GLP1R
SCHEMBL30900789	0.89	TFPI (0.66)	TFPIBECN1NPBWR1GLP1R
SCHEMBL30900786	0.89	TFPI (0.66)	TFPIBECN1NPBWR1GLP1R
SCHEMBL31307291	0.88	KISS1R (0.53)	TFPIRXFP1NPBWR1GLP1R
SCHEMBL30900766	0.87	TFPI (0.66)	TFPINPBWR1GLP1R
SCHEMBL30900784	0.85	TFPI (0.74)	TFPIRXFP1IL23RBECN1GLP1R
SCHEMBL30900765	0.85	TFPI (0.74)	TFPIRXFP1IL23RBECN1GLP1R
SCHEMBL30900776	0.85	TFPI (0.74)	TFPIRXFP1IL23RBECN1GLP1R
SCHEMBL30900777	0.85	TFPI (0.74)	TFPIRXFP1IL23RBECN1GLP1R
SCHEMBL29597420	0.85	TFPI (0.75)	TFPIRXFP1IL23RGLP1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5519000-A	OLIGOPEPTIDE	CENTECOR, INC. (US)	1996-05-21	—	—	US	disclosed
WO-1995026744-A1	TUMOR NECROSIS FACTOR INHIBITORS	CENTOCOR, INC. (US)	1995-10-12	—	—	WO	disclosed