SCHEMBL9396858

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.53

▸	MAPK9	P45984	1/20	0.53

▸	MAPK10	P53779	1/20	0.53

▸	NPY2R	P49146	8/20	0.52

▸	NPY4R	P50391	8/20	0.52

▸	NPY5R	Q15761	8/20	0.52

▸	NPY1R	P25929	8/20	0.52

▸	CTSL	P07711	2/20	0.48

▸	CTSS	P25774	2/20	0.48

▸	CTSK	P43235	2/20	0.48

▸	CTSH	P09668	1/20	0.48

▸	RAMP3	O60896	5/20	0.47

▸	CALCR	P30988	5/20	0.47

▸	APLNR	P35414	1/20	0.47

▸	F2	P00734	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
SCHEMBL30441868	0.87	F2 (0.52)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29808351	0.86	F2 (0.54)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30442638	0.86	F2 (0.51)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31000911	0.86	APLNR (0.58)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29808558	0.86	F2 (0.54)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL9295042	0.86	RAMP3 (0.52)	CTSLCTSSCTSKCTSHRAMP3
SCHEMBL9295015	0.86	RAMP3 (0.52)	CTSLCTSSCTSKCTSHRAMP3
SCHEMBL30432802	0.85	CALCR (0.56)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30753782	0.85	APLNR (0.57)	NPY2RNPY4RNPY5RNPY1RAPLNR
SCHEMBL31157044	0.84	CTSL (0.52)	CTSLCTSSCTSKCTSHRAMP3

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
WO-1994021662-A1	DIAGNOSIS OF HUMAN INFLAMMATORY BOWEL DISEASES AND NUCLEIC ACID REAGENTS THEREFOR	YALE UNIVERSITY (US)	1994-09-29	—	—	WO	disclosed