SCHEMBL29430209

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)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.64

▸	MAPK9	P45984	1/20	0.64

▸	MAPK10	P53779	1/20	0.64

▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	NMUR2	Q9GZQ4	3/20	0.60

▸	NMUR1	Q9HB89	3/20	0.60

▸	RAMP3	O60896	3/20	0.59

▸	CALCR	P30988	3/20	0.59

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	TFPI	P10646	2/20	0.58

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
SCHEMBL29430214	0.98	MAPK8 (0.61)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29531542	0.94	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31281288	0.93	MAPK8 (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30495721	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31222190	0.91	RAMP3 (0.55)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30726566	0.90	NPY2R (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30495594	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31182879	0.90	RAMP3 (0.61)	MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL31461960	0.90	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31000921	0.89	NPY2R (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R

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