SCHEMBL29525147

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](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(C)C)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 0.63

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.63

▸	TFPI	P10646	6/20	0.61

▸	NPY2R	P49146	8/20	0.60

▸	NPY4R	P50391	8/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	6/20	0.60

▸	C5AR1	P21730	1/20	0.59

▸	MC4R	P32245	1/20	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
SCHEMBL29526390	0.98	APLNR (0.64)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL29525492	0.97	APLNR (0.64)	APLNRTFPIMC4R
SCHEMBL29526046	0.97	APLNR (0.64)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL29525577	0.97	APLNR (0.64)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL29403150	0.94	GHSR (0.66)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL30166497	0.93	APLNR (0.62)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL18787566	0.92	APLNR (0.61)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL29542556	0.92	TFPI (0.70)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL5498547	0.92	APLNR (0.60)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL29587191	0.89	F2 (0.64)	APLNRC5AR1MC4R

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 5 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	claimed
US-11241483-B2	Methods of treating mild brain injury	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US)	2022-02-08	—	—	US	claimed
US-20230330187-A1	USE OF GHRELIN OR GHRELIN VARIANT FOR INCREASING DOSE INTENSITY OF CHEMOTHERAPEUTIC AGENTS IN PATIENTS WITH CANCER	OXEIA BIOPHARMACEUTICALS INC (US)	2023-10-19	—	—	US	disclosed
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