SCHEMBL30712933

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.62

▸	CALCR	P30988	4/20	0.60

▸	APLNR	P35414	2/20	0.60

▸	KDM1A	O60341	3/20	0.60

▸	MAOB	P27338	1/20	0.59

▸	KDM5A	P29375	1/20	0.59

▸	KDM1B	Q8NB78	1/20	0.59

▸	NPY2R	P49146	6/20	0.59

▸	NPY4R	P50391	6/20	0.59

▸	NPY5R	Q15761	6/20	0.59

▸	NPY1R	P25929	4/20	0.59

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
SCHEMBL30358141	0.94	APLNR (0.63)	C5AR1CALCRAPLNRKDM1AMAOB
SCHEMBL29949425	0.93	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29749731	0.93	APLNR (0.68)	C5AR1CALCRAPLNRKDM1AMAOB
SCHEMBL30432183	0.93	F2 (0.59)	CALCRAPLNRKDM1ANPY2RNPY4R
SCHEMBL30141845	0.92	APLNR (0.68)	C5AR1CALCRAPLNRKDM1AMAOB
SCHEMBL29700297	0.92	APLNR (0.66)	C5AR1CALCRAPLNRKDM1A
SCHEMBL31307222	0.92	C5AR1 (0.56)	C5AR1CALCRAPLNRKDM1ANPY2R
SCHEMBL31307221	0.92	C5AR1 (0.57)	C5AR1CALCRAPLNRNPY2RNPY4R
SCHEMBL29637944	0.92	C5AR1 (0.65)	C5AR1CALCRKDM1AMAOBKDM5A
SCHEMBL31182486	0.91	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed