SCHEMBL7418365

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](CO)NC(=O)[C@@H](N)CO)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)CCCNC(=N)N)[C@@H](C)CC

nearest known ligand 0.47

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	OPRL1	P41146	2/20	0.46

▸	PTH1R	Q03431	7/20	0.44

▸	GLP1R	P43220	2/20	0.43

▸	MAPK8	P45983	1/20	0.43

▸	MAPK9	P45984	1/20	0.43

▸	MAPK10	P53779	1/20	0.43

▸	CXCR4	P61073	1/20	0.43

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	0.96	MAPK8 (0.44)	OPRL1PTH1RGLP1RMAPK8MAPK9
SCHEMBL7464905	0.95	OPRL1 (0.45)	OPRL1PTH1RGLP1RMAPK8MAPK9
SCHEMBL7420309	0.94	MAPK8 (0.44)	OPRL1PTH1RGLP1RMAPK8MAPK9
SCHEMBL7463680	0.94	OPRL1 (0.44)	OPRL1PTH1RGLP1RMAPK8MAPK9
SCHEMBL7417924	0.92	OPRL1 (0.44)	OPRL1PTH1RGLP1RMAPK8MAPK9
SCHEMBL7418299	0.86	CXCR4 (0.38)	OPRL1PTH1RGLP1RMAPK8MAPK9
SCHEMBL7467426	0.85	PTH1R (0.48)	OPRL1PTH1R
SCHEMBL7265311	0.84	PTH1R (0.50)	OPRL1PTH1R
SCHEMBL7469236	0.80	IL23R (0.48)	OPRL1PTH1RMAPK8MAPK9MAPK10
SCHEMBL7462892	0.79	OPRL1 (0.44)	OPRL1

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