SCHEMBL31182765

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

nearest known ligand 0.64

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.62

▸	KEAP1	Q14145	1/20	0.58

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	NPY2R	P49146	8/20	0.57

▸	NPY4R	P50391	8/20	0.57

▸	NPY5R	Q15761	8/20	0.57

▸	NPY1R	P25929	6/20	0.57

▸	GLP1R	P43220	1/20	0.57

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	RAMP1	O60894	1/20	0.56

▸	RAMP2	O60895	1/20	0.56

▸	RAMP3	O60896	1/20	0.56

▸	CALCRL	Q16602	1/20	0.56

▸	APLNR	P35414	1/20	0.55

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
SCHEMBL31182486	0.92	CALCR (0.69)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29949425	0.92	CALCR (0.67)	CALCRKEAP1CRHR1CRHR2NPY2R
SCHEMBL30432875	0.90	CALCR (0.65)	CALCRKEAP1CRHR1CRHR2NPY2R
SCHEMBL30198767	0.90	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30903267	0.89	NPY2R (0.59)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658233	0.89	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30358178	0.89	CALCR (0.66)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29678024	0.89	OPRM1 (0.58)	CALCRAPLNR
SCHEMBL29903341	0.89	NPY2R (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29903219	0.89	NPY2R (0.66)	CALCRCRHR1CRHR2NPY2RNPY4R

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