SCHEMBL30136474

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.55

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	RXFP1	Q9HBX9	1/20	0.52

▸	PTH1R	Q03431	10/20	0.52

▸	F2	P00734	3/20	0.50

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
SCHEMBL30136444	0.90	CALCR (0.54)	CALCRCRHR1CRHR2RXFP1PTH1R
SCHEMBL30136490	0.89	PTH1R (0.59)	CALCRCRHR1CRHR2RXFP1PTH1R
SCHEMBL29407403	0.88	PTH1R (0.59)	CALCRCRHR1CRHR2RXFP1PTH1R
SCHEMBL31303964	0.88	PTH1R (0.59)	CALCRCRHR1CRHR2RXFP1PTH1R
SCHEMBL29949418	0.86	CALCR (0.64)	CALCRCRHR1CRHR2RXFP1PTH1R
SCHEMBL30136429	0.85	CALCR (0.55)	CALCRCRHR1CRHR2RXFP1PTH1R
SCHEMBL29633610	0.85	CALCR (0.63)	CALCRCRHR1CRHR2RXFP1PTH1R
Magainin 2 SCHEMBL29357968	0.85	CALCR (0.63)	CALCRCRHR1CRHR2RXFP1PTH1R
SCHEMBL30449532	0.84	PTH1R (0.65)	CALCRRXFP1PTH1R
SCHEMBL30432055	0.83	CALCR (0.59)	CALCRCRHR1CRHR2PTH1R

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
CN-110642936-B	Method for preparing teriparatide	深圳翰宇药业股份有限公司	2023-01-17	—	—	CN	disclosed