SCHEMBL7420309

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C1CCCCC1)[C@H]([C]=O)CS)[C@@H](C)CC

nearest known ligand 0.45

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.44

▸	MAPK9	P45984	1/20	0.44

▸	MAPK10	P53779	1/20	0.44

▸	KEAP1	Q14145	2/20	0.43

▸	IL23R	Q5VWK5	2/20	0.43

▸	OPRL1	P41146	2/20	0.43

▸	EIF4E	P06730	1/20	0.42

▸	EIF4EBP1	Q13541	1/20	0.42

▸	PTH1R	Q03431	2/20	0.42

▸	GLP1R	P43220	3/20	0.42

▸	OPRD1	P41143	2/20	0.41

▸	BACE1	P56817	1/20	0.41

▸	CCKAR	P32238	1/20	0.41

▸	CCKBR	P32239	1/20	0.41

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
SCHEMBL7416150	0.98	MAPK8 (0.44)	MAPK8MAPK9MAPK10KEAP1IL23R
SCHEMBL7463680	0.96	OPRL1 (0.44)	MAPK8MAPK9MAPK10KEAP1IL23R
SCHEMBL7417924	0.95	OPRL1 (0.44)	MAPK8MAPK9MAPK10KEAP1IL23R
SCHEMBL7418365	0.94	OPRL1 (0.46)	MAPK8MAPK9MAPK10OPRL1PTH1R
SCHEMBL7418299	0.92	CXCR4 (0.38)	MAPK8MAPK9MAPK10KEAP1IL23R
SCHEMBL7464905	0.92	OPRL1 (0.45)	MAPK8MAPK9MAPK10OPRL1PTH1R
SCHEMBL7469236	0.84	IL23R (0.48)	MAPK8MAPK9MAPK10KEAP1IL23R
SCHEMBL7418444	0.81	IL23R (0.46)	KEAP1IL23REIF4EEIF4EBP1
SCHEMBL7462892	0.80	OPRL1 (0.44)	KEAP1IL23ROPRL1OPRD1CCKAR
SCHEMBL7467426	0.80	PTH1R (0.48)	IL23ROPRL1PTH1R

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-1990014362-A1	ATRIAL PEPTIDE DERIVATIVES	ABBOTT LABORATORIES (US)	1990-11-29	—	—	WO	disclosed