SCHEMBL30862307

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	1/20	0.54

▸	CALCR	P30988	4/20	0.50

▸	REN	P00797	10/20	0.49

▸	MAPK8	P45983	1/20	0.49

▸	MAPK9	P45984	1/20	0.49

▸	MAPK10	P53779	1/20	0.49

▸	CRHR1	P34998	1/20	0.48

▸	CRHR2	Q13324	1/20	0.48

▸	BACE1	P56817	2/20	0.47

▸	BACE2	Q9Y5Z0	1/20	0.47

▸	KDM1A	O60341	1/20	0.47

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
SCHEMBL31461870	0.90	REN (0.49)	CALCRLCALCRRENMAPK8MAPK9
SCHEMBL30368211	0.89	GHSR (0.48)	REN
SCHEMBL31182913	0.88	KDM1A (0.59)	CALCRCRHR1CRHR2KDM1A
SCHEMBL31182880	0.85	CALCR (0.67)	CALCRMAPK8MAPK9MAPK10CRHR1
Hemopressin SCHEMBL29393495	0.85	KDM1A (0.51)	CALCRRENCRHR1CRHR2KDM1A
SCHEMBL30607361	0.84	CALCRL (0.60)	CALCRLRENMAPK8MAPK9MAPK10
SCHEMBL29461464	0.84	KEAP1 (0.62)	CALCRLRENMAPK8MAPK9MAPK10
SCHEMBL30576957	0.84	CALCR (0.52)	CALCRRENCRHR1CRHR2KDM1A
SCHEMBL30512636	0.83	CALCRL (0.56)	CALCRLCALCRRENMAPK8MAPK9
SCHEMBL31026117	0.83	GHSR (0.57)	REN

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-20240124552-A1	METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS	BAYLOR COLLEGE OF MEDICINE	2024-04-18	—	—	US	disclosed