SCHEMBL31182872

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

nearest known ligand 0.73

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.73

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	HCRTR1	O43613	1/20	0.62

▸	HCRTR2	O43614	1/20	0.62

▸	F2	P00734	4/20	0.59

▸	CCKBR	P32239	4/20	0.59

▸	GLP1R	P43220	4/20	0.59

▸	APLNR	P35414	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
SCHEMBL31182874	0.90	MAPK8 (0.66)	CALCRHCRTR1HCRTR2F2APLNR
SCHEMBL31182803	0.90	CALCR (0.71)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29575208	0.90	CALCR (0.74)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30432602	0.89	CALCR (0.67)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL30466120	0.89	CALCR (0.70)	CALCRGLP1RAPLNR
SCHEMBL30432534	0.88	CALCR (0.76)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30658343	0.88	CALCR (0.81)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30422726	0.88	CALCR (0.71)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29771868	0.88	CALCR (0.68)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL29771869	0.88	CALCR (0.68)	CALCRCRHR1CRHR2F2GLP1R

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