SCHEMBL30804664

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.55

▸	REN	P00797	10/20	0.53

▸	CRHR1	P34998	1/20	0.51

▸	CRHR2	Q13324	1/20	0.51

▸	KDM1A	O60341	1/20	0.51

▸	CALCRL	Q16602	1/20	0.51

▸	MAPK8	P45983	1/20	0.51

▸	MAPK9	P45984	1/20	0.51

▸	MAPK10	P53779	1/20	0.51

▸	CCKBR	P32239	1/20	0.50

▸	GLP1R	P43220	1/20	0.50

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
SCHEMBL29530661	0.89	REN (0.49)	CALCRRENKDM1A
SCHEMBL29530230	0.87	KDM1A (0.48)	CALCRRENCRHR1CRHR2KDM1A
SCHEMBL30512636	0.87	CALCRL (0.56)	CALCRRENKDM1ACALCRLMAPK8
SCHEMBL30358167	0.86	CALCR (0.59)	CALCRCRHR1CRHR2CALCRLMAPK8
SCHEMBL31182803	0.85	CALCR (0.71)	CALCRCRHR1CRHR2KDM1AMAPK8
SCHEMBL30862307	0.84	CALCRL (0.54)	CALCRRENCRHR1CRHR2KDM1A
SCHEMBL30262124	0.84	F2 (0.59)	CALCRRENKDM1A
SCHEMBL10658727	0.84	REN (0.63)	RENKDM1A
SCHEMBL10658713	0.84	REN (0.63)	RENKDM1A
SCHEMBL30311212	0.84	REN (0.60)	RENKDM1ACALCRLMAPK8MAPK9

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
CN-117467671-A	Corn ear number regulation gene ZmEN1, expression product, excellent haplotype and application	河南农业大学	2024-01-30	—	—	CN	disclosed