SCHEMBL10438004

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.62

▸	F2	P00734	4/20	0.61

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	HCRTR1	O43613	1/20	0.52

▸	HCRTR2	O43614	1/20	0.52

▸	AGTR1	P30556	1/20	0.52

▸	AGTR2	P50052	1/20	0.52

▸	CCKBR	P32239	2/20	0.51

▸	GLP1R	P43220	2/20	0.51

▸	NPY2R	P49146	4/20	0.51

▸	NPY4R	P50391	4/20	0.51

▸	NPY5R	Q15761	4/20	0.51

▸	NPY1R	P25929	3/20	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
SCHEMBL10437998	1.00	CALCR (0.62)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31366723	0.86	LNPEP (0.54)	CALCRF2AGTR1
SCHEMBL31182554	0.86	CALCR (0.72)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30607353	0.86	F2 (0.68)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30536330	0.86	CALCR (0.66)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30504143	0.84	F2 (0.69)	CALCRF2HCRTR1HCRTR2NPY1R
SCHEMBL31182562	0.84	CALCR (0.73)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29949630	0.84	CALCR (0.74)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30906376	0.84	CALCR (0.70)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182692	0.83	CALCR (0.66)	CALCRF2HCRTR1HCRTR2CCKBR

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
EP-0354652-A2	Novel alpha-N-acetylgalactosaminyltransferase and method of detecting tumour cells using same	The Biomembrane Institute (US)	1990-02-14	—	—	EP	claimed
EP-0354652-A2	Novel alpha-N-acetylgalactosaminyltransferase and method of detecting tumour cells using same	The Biomembrane Institute (US)	1990-02-14	—	—	EP	disclosed