SCHEMBL27619455

NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]([C]=O)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CCKAR	P32238	2/20	0.49

▸	CCKBR	P32239	2/20	0.49

▸	GHSR	Q92847	4/20	0.49

▸	OPRD1	P41143	2/20	0.48

▸	OPRM1	P35372	1/20	0.48

▸	CXCR4	P61073	2/20	0.47

▸	PRMT1	Q99873	1/20	0.46

▸	UTS2R	Q9UKP6	1/20	0.46

▸	MMP2	P08253	2/20	0.46

▸	MMP9	P14780	1/20	0.46

▸	MMP8	P22894	1/20	0.46

▸	MMP1	P03956	1/20	0.46

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
SCHEMBL27583742	0.95	CCKAR (0.47)	CCKARCCKBRGHSROPRD1OPRM1
SCHEMBL31013225	0.86	OPRM1 (0.55)	GHSROPRD1OPRM1PRMT1
SCHEMBL29887063	0.86	OPRM1 (0.55)	GHSROPRD1OPRM1PRMT1
SCHEMBL31214602	0.83	ERAP2 (0.57)	GHSROPRD1OPRM1PRMT1
SCHEMBL30179257	0.83	ERAP2 (0.58)	GHSR
SCHEMBL30511103	0.82	CCKBR (0.48)	CCKARCCKBRGHSROPRD1CXCR4
SCHEMBL30011265	0.82	NMBR (0.57)	GHSROPRD1OPRM1
SCHEMBL1353004	0.82	MMP1 (0.57)	MMP2MMP9MMP8MMP1
SCHEMBL29791696	0.80	CCKBR (0.53)	CCKARCCKBROPRD1OPRM1CXCR4
SCHEMBL31742584	0.80	PRMT1 (0.59)	CCKARCCKBRGHSROPRD1OPRM1

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-1746182-A	Design of antisuppository KGD-cyclohepta-peptide, its preparation and use thereof	JING JIAN (CN)	2006-03-15	—	—	CN	claimed