SCHEMBL29525763

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.63

▸	NPY2R	P49146	7/20	0.62

▸	NPY4R	P50391	7/20	0.62

▸	NPY5R	Q15761	7/20	0.62

▸	NPY1R	P25929	5/20	0.62

▸	TFPI	P10646	5/20	0.61

▸	NMUR2	Q9GZQ4	2/20	0.60

▸	NMUR1	Q9HB89	2/20	0.60

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	MAOB	P27338	1/20	0.58

▸	KDM5A	P29375	1/20	0.58

▸	KDM1B	Q8NB78	1/20	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
SCHEMBL29572169	0.92	MAPK8 (0.59)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31182651	0.90	NPY2R (0.61)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29588486	0.90	NPY2R (0.65)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30199009	0.90	MAPK8 (0.59)	MAPK8MAPK9MAPK10
SCHEMBL31544752	0.89	TFPI (0.60)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495738	0.89	NPY2R (0.61)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30607274	0.88	MAPK8 (0.59)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29349981	0.88	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182472	0.87	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30429908	0.87	KDM1A (0.65)	KDM1ANPY2RNPY4RNPY5RNPY1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20220401520-A1	METHODS OF TREATING MILD BRAIN INJURY	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA	2022-12-22	—	—	US	disclosed
US-11241483-B2	Methods of treating mild brain injury	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US)	2022-02-08	—	—	US	disclosed