SCHEMBL31182545

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

nearest known ligand 0.75

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.75

▸	GLP1R	P43220	7/20	0.68

▸	CRHR1	P34998	1/20	0.67

▸	CRHR2	Q13324	1/20	0.67

▸	APLNR	P35414	1/20	0.66

▸	GCGR	P47871	3/20	0.64

▸	KEAP1	Q14145	1/20	0.64

▸	CCKBR	P32239	2/20	0.61

▸	NPY2R	P49146	2/20	0.61

▸	NPY4R	P50391	2/20	0.61

▸	NPY5R	Q15761	2/20	0.61

▸	NPY1R	P25929	1/20	0.61

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
SCHEMBL30658357	0.93	CALCR (0.75)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL29462637	0.93	CALCR (0.79)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL29767063	0.93	CALCR (0.79)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL29724187	0.93	CALCR (0.79)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL30063048	0.92	CALCR (0.75)	CALCRGLP1RCRHR1CRHR2CCKBR
SCHEMBL29939723	0.92	CALCR (0.79)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL30658226	0.92	CALCR (0.77)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL29413135	0.92	CALCR (0.76)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL30932066	0.92	CALCR (0.77)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL30658283	0.92	CALCR (0.74)	CALCRGLP1RCRHR1CRHR2GCGR

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-20240350475-A1	TRIGONELLINE MITIGATES CARDIOMYOPATHY CAUSED BY SARS-COV-2 SPIKE PROTEIN UNDER OBESITY	UNIVERSITY OF SOUTH CAROLINA (US)	2024-10-24	—	—	US	disclosed