SCHEMBL29430214

CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

▸	RAMP3	O60896	8/20	0.61

▸	CALCR	P30988	8/20	0.61

▸	NPY2R	P49146	8/20	0.60

▸	NPY4R	P50391	8/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	6/20	0.60

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

▸	NMUR2	Q9GZQ4	1/20	0.57

▸	NMUR1	Q9HB89	1/20	0.57

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
SCHEMBL29430209	0.98	MAPK8 (0.64)	MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL29531542	0.95	NPY2R (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495721	0.94	NPY2R (0.65)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31222190	0.92	RAMP3 (0.55)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31281288	0.91	MAPK8 (0.60)	MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL31182879	0.91	RAMP3 (0.61)	MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL31000921	0.90	NPY2R (0.63)	MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL30495594	0.90	NPY2R (0.68)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29562124	0.90	NPY2R (0.67)	MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL30423109	0.89	APLNR (0.60)	MAPK8MAPK9MAPK10RAMP3CALCR

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-20220073636-A1	ANTIBODY POLYPEPTIDES THAT ANTAGONIZE CD40L	DOMANTIS LIMITED (GB)	2022-03-10	—	—	US	disclosed