SCHEMBL29525577

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)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(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.64

▸	MC4R	P32245	1/20	0.61

▸	GHSR	Q92847	4/20	0.58

▸	OPRM1	P35372	6/20	0.58

▸	OPRK1	P41145	6/20	0.58

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	TFPI	P10646	1/20	0.57

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
SCHEMBL29526046	1.00	APLNR (0.64)	APLNRMC4RGHSROPRM1OPRK1
SCHEMBL29525492	0.99	APLNR (0.64)	APLNRMC4RGHSROPRM1OPRK1
SCHEMBL29525147	0.97	APLNR (0.63)	APLNRMC4RNPY1RNPY2RNPY4R
SCHEMBL29526390	0.95	APLNR (0.64)	APLNRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29587191	0.92	F2 (0.64)	APLNRMC4R
SCHEMBL29403150	0.91	GHSR (0.66)	APLNRGHSRNPY1RNPY2RNPY4R
SCHEMBL30166497	0.90	APLNR (0.62)	APLNRGHSRNPY1RNPY2RNPY4R
SCHEMBL29376881	0.90	APLNR (0.60)	APLNRMC4ROPRM1OPRK1NPY1R
SCHEMBL18787566	0.89	APLNR (0.61)	APLNRGHSRNPY1RNPY2RNPY4R
SCHEMBL31356966	0.89	C5AR1 (0.61)	APLNRMC4RGHSR

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