SCHEMBL5068412

CCCCCCCC(=O)N(C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(N)=O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	3/20	0.60

▸	TFPI	P10646	2/20	0.56

▸	GHSR	Q92847	4/20	0.56

▸	KDM1A	O60341	1/20	0.54

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
SCHEMBL16150700	0.98	APLNR (0.64)	APLNRGHSR
SCHEMBL5059932	0.96	APLNR (0.64)	APLNRGHSR
SCHEMBL4459179	0.95	APLNR (0.63)	APLNRGHSR
SCHEMBL30166497	0.92	APLNR (0.62)	APLNRTFPIGHSR
SCHEMBL5068397	0.91	F2 (0.54)	APLNRGHSR
SCHEMBL7619215	0.87	NMUR2 (0.58)	APLNRTFPI
SCHEMBL4464636	0.87	APLNR (0.54)	APLNRGHSR
SCHEMBL29526390	0.87	APLNR (0.64)	APLNRTFPI
SCHEMBL29525147	0.85	APLNR (0.63)	APLNRTFPI
SCHEMBL29403150	0.85	GHSR (0.66)	APLNRTFPIGHSR

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-20080269116-A1	Methods of Inhibiting Proinflammatory Cytokine Expression Using Ghrelin	TAUB DENNIS D	2008-10-30	—	—	US	disclosed