SCHEMBL14950243

CCCCC[C@H](NC(=O)[C@H](CCC=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	XIAP	P98170	1/20	0.43

▸	RAMP3	O60896	4/20	0.43

▸	CALCR	P30988	4/20	0.43

▸	F2	P00734	3/20	0.42

▸	TGM2	P21980	2/20	0.41

▸	NTSR2	O95665	7/20	0.40

▸	NTSR1	P30989	7/20	0.40

▸	CALCRL	Q16602	1/20	0.40

▸	SORT1	Q99523	6/20	0.40

▸	EPHA2	P29317	1/20	0.39

▸	F13A1	P00488	1/20	0.39

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
SCHEMBL29897780	0.89	NPY2R (0.46)	XIAPRAMP3CALCRF2NTSR2
SCHEMBL29780544	0.89	NPY2R (0.46)	XIAPRAMP3CALCRF2NTSR2
SCHEMBL13697491	0.89	NPY2R (0.46)	XIAPRAMP3CALCRF2NTSR2
SCHEMBL29379750	0.84	NTSR1 (0.49)	XIAPNTSR2NTSR1SORT1
SCHEMBL14947060	0.83	NPY2R (0.43)	CALCRNTSR2NTSR1SORT1
SCHEMBL30844335	0.82	NPY2R (0.49)	CALCRF2NTSR2NTSR1CALCRL
SCHEMBL30844363	0.81	NPY2R (0.50)	CALCRF2NTSR2NTSR1CALCRL
SCHEMBL30844238	0.81	NPY2R (0.50)	CALCRF2NTSR2NTSR1CALCRL
SCHEMBL31461892	0.81	CALCR (0.53)	RAMP3CALCR
SCHEMBL14950244	0.81	CMA1 (0.53)	F2NTSR2NTSR1CALCRLEPHA2

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
US-9150899-B2	Identification of compounds modifying a cellular response	2CUREX (DK)	2015-10-06	—	—	US	disclosed
US-20130123140-A1	IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE	2CUREX (DK)	2013-05-16	—	—	US	disclosed