SCHEMBL31118878

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.54

▸	NMUR2	Q9GZQ4	5/20	0.50

▸	NMUR1	Q9HB89	5/20	0.50

▸	F2	P00734	4/20	0.50

▸	RAMP3	O60896	4/20	0.48

▸	CALCR	P30988	4/20	0.48

▸	PLK1	P53350	1/20	0.47

▸	C5AR1	P21730	1/20	0.47

▸	CXCR4	P61073	1/20	0.47

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
SCHEMBL29845487	0.93	APLNR (0.52)	APLNRNMUR2NMUR1F2RAMP3
SCHEMBL29844803	0.93	APLNR (0.53)	APLNRNMUR2NMUR1F2RAMP3
SCHEMBL30646310	0.92	APLNR (0.56)	APLNRF2C5AR1CXCR4
SCHEMBL29416132	0.92	APLNR (0.56)	APLNRF2C5AR1CXCR4
SCHEMBL29607754	0.91	APLNR (0.56)	APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL29606819	0.90	APLNR (0.57)	APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL29607035	0.90	APLNR (0.55)	APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL29607506	0.89	APLNR (0.56)	APLNRNMUR2NMUR1RAMP3CALCR
SCHEMBL31494290	0.89	CTSL (0.51)	APLNRNMUR2NMUR1F2RAMP3
SCHEMBL30537456	0.88	APLNR (0.55)	APLNRC5AR1CXCR4

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-2024189434-A1	USE OF NADOLOL TO TREAT PULMONARY SYMPTOMS ASSOCIATED WITH INFECTIONS WITH SARS-CoV-2	CHRONIC AIRWAY THERAPEUTICS LIMITED (AU)	2024-09-19	—	—	WO	disclosed