SCHEMBL30997453

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	10/20	0.45

▸	NTSR2	O95665	9/20	0.45

▸	SORT1	Q99523	6/20	0.45

▸	MAPK8	P45983	1/20	0.44

▸	MAPK9	P45984	1/20	0.44

▸	MAPK10	P53779	1/20	0.44

▸	TGM2	P21980	1/20	0.43

▸	PLK1	P53350	1/20	0.42

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
SCHEMBL31461877	0.95	NTSR1 (0.43)	NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL31461992	0.94	EP300 (0.43)	NTSR1NTSR2MAPK8MAPK9MAPK10
SCHEMBL29805617	0.91	NTSR1 (0.49)	NTSR1NTSR2SORT1
SCHEMBL29410233	0.90	EPHA2 (0.47)	NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL31064903	0.90	NTSR1 (0.43)	NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30997437	0.89	ACE (0.40)	PLK1
SCHEMBL29678149	0.88	MAPK8 (0.46)	NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL30772919	0.88	NTSR2 (0.46)	NTSR1NTSR2SORT1PLK1
SCHEMBL30471842	0.87	ACE (0.41)	PLK1
SCHEMBL24452714	0.87	KMT2A (0.44)	NTSR1NTSR2SORT1

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-20240230663-A1	METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE	AVAIL BIO INC (US)	2024-07-11	—	—	US	disclosed