SCHEMBL30804656

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.67

▸	CALCR	P30988	4/20	0.67

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	MC4R	P32245	1/20	0.60

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	TFPI	P10646	4/20	0.59

▸	CXCR4	P61073	2/20	0.59

▸	NMBR	P28336	1/20	0.58

▸	GRPR	P30550	1/20	0.58

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
SCHEMBL29939733	0.93	CALCR (0.73)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30495631	0.90	F2 (0.66)	F2CALCRCRHR1CRHR2MC4R
SCHEMBL30431687	0.89	F2 (0.64)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30974276	0.89	F2 (0.61)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30431785	0.89	CALCR (0.68)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30495663	0.89	F2 (0.71)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL31232436	0.88	CALCR (0.61)	F2CALCRCRHR1CRHR2MC4R
SCHEMBL30261995	0.88	OPRD1 (0.61)	F2TFPICXCR4
SCHEMBL30176412	0.88	MC4R (0.63)	F2CALCRMC4RTFPICXCR4
SCHEMBL31182637	0.88	CALCR (0.77)	F2CALCRCRHR1CRHR2HCRTR1

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