SCHEMBL30495617

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	F2	P00734	4/20	0.67

▸	APLNR	P35414	2/20	0.66

▸	KEAP1	Q14145	1/20	0.62

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	TFPI	P10646	2/20	0.60

▸	GLP1R	P43220	3/20	0.60

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	GCGR	P47871	2/20	0.59

▸	GIPR	P48546	2/20	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
SCHEMBL30607275	0.93	CALCR (0.62)	CALCRF2APLNRKEAP1CRHR1
SCHEMBL29416142	0.92	CALCR (0.72)	CALCRF2CRHR1CRHR2TFPI
SCHEMBL31182500	0.92	CALCR (0.72)	CALCRF2APLNRCRHR1CRHR2
SCHEMBL30495810	0.91	CALCR (0.71)	CALCRF2CRHR1CRHR2TFPI
SCHEMBL30358206	0.90	CALCR (0.70)	CALCRAPLNRKEAP1CRHR1CRHR2
SCHEMBL31168252	0.90	CALCR (0.73)	CALCRF2APLNRKEAP1CRHR1
SCHEMBL6437853	0.90	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL29895442	0.90	CALCR (0.73)	CALCRAPLNRCRHR1CRHR2GLP1R
SCHEMBL30932074	0.90	CALCR (0.72)	CALCRAPLNRKEAP1CRHR1CRHR2
SCHEMBL30432050	0.90	KEAP1 (0.68)	F2KEAP1GLP1RNPY1RNPY2R

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed