SCHEMBL9108788

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

nearest known ligand 0.68

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	9/20	0.68

▸	NR3C1	P04150	3/20	0.65

▸	IL23R	Q5VWK5	3/20	0.62

▸	GLP1R	P43220	4/20	0.62

▸	RXFP1	Q9HBX9	1/20	0.62

▸	ECE1	P42892	1/20	0.61

▸	MUS81	Q96NY9	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
SCHEMBL9109517	0.94	PTH1R (0.65)	PTH1RNR3C1IL23RGLP1RRXFP1
SCHEMBL9108567	0.91	TFPI (0.68)	PTH1RNR3C1
SCHEMBL9110544	0.89	IL23R (0.65)	PTH1RNR3C1IL23RGLP1RRXFP1
SCHEMBL30567741	0.89	NR3C1 (0.72)	NR3C1IL23RGLP1RECE1MUS81
SCHEMBL30906575	0.89	GLP1R (0.70)	PTH1RNR3C1GLP1RRXFP1ECE1
SCHEMBL30906354	0.89	GLP1R (0.71)	PTH1RNR3C1GLP1RRXFP1ECE1
SCHEMBL30906361	0.89	GLP1R (0.70)	PTH1RNR3C1GLP1RRXFP1ECE1
SCHEMBL30906459	0.89	GLP1R (0.70)	PTH1RNR3C1GLP1RRXFP1ECE1
SCHEMBL30906495	0.89	GLP1R (0.70)	PTH1RNR3C1GLP1RRXFP1ECE1
Temporin L SCHEMBL29388128	0.89	PTH1R (0.72)	PTH1RIL23RGLP1RRXFP1ECE1

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
WO-1995008560-A1	NOVEL PEPTIDES USEFUL FOR INHIBITING BINDING OF LIPOPOLYSACCHARIDES (LPS) BY LIPOPOLYSACCHARIDE BINDING PROTEIN (LBP)	CENTOCOR, INC. (US)	1995-03-30	—	—	WO	disclosed