SCHEMBL17166400

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)CCCCN)[C@@H](C)O)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	2/20	0.59

▸	TFPI	P10646	3/20	0.56

▸	KEAP1	Q14145	1/20	0.56

▸	OPRM1	P35372	6/20	0.56

▸	OPRK1	P41145	6/20	0.56

▸	NPY2R	P49146	6/20	0.56

▸	NPY4R	P50391	6/20	0.56

▸	NPY5R	Q15761	6/20	0.56

▸	NPY1R	P25929	5/20	0.56

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
SCHEMBL17166404	0.96	KDM1A (0.60)	KDM1ATFPIKEAP1OPRM1OPRK1
SCHEMBL14479372	0.94	KDM1A (0.58)	KDM1ATFPIKEAP1OPRM1OPRK1
SCHEMBL14479433	0.93	OPRM1 (0.64)	KDM1ATFPIKEAP1OPRM1OPRK1
SCHEMBL14479365	0.93	KDM1A (0.61)	KDM1ATFPIKEAP1OPRM1OPRK1
SCHEMBL14479402	0.92	KDM1A (0.60)	KDM1ATFPIKEAP1OPRM1OPRK1
SCHEMBL16976064	0.92	KDM1A (0.62)	KDM1ATFPIKEAP1NPY2RNPY4R
SCHEMBL17166411	0.90	KISS1R (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL14479341	0.89	KDM1A (0.59)	KDM1ATFPIKEAP1OPRM1OPRK1
SCHEMBL14479344	0.89	OPRM1 (0.61)	KDM1ATFPIKEAP1OPRM1OPRK1
SCHEMBL14479434	0.89	KDM1A (0.61)	KDM1ATFPIKEAP1OPRM1OPRK1

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-9155795-B2	CXCR4 receptor compounds	ANCHOR THERAPEUTICS, INC. (US)	2015-10-13	—	—	US	disclosed