SCHEMBL31182962

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.66

▸	F2	P00734	4/20	0.65

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	GLP1R	P43220	5/20	0.58

▸	GCGR	P47871	5/20	0.58

▸	RAMP1	O60894	1/20	0.57

▸	RAMP2	O60895	1/20	0.57

▸	RAMP3	O60896	1/20	0.57

▸	CALCRL	Q16602	1/20	0.57

▸	GIPR	P48546	2/20	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
SCHEMBL30432818	0.88	F2 (0.73)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30932076	0.87	CALCR (0.82)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29767110	0.87	CALCR (0.82)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30658230	0.86	CALCR (0.79)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182553	0.86	CALCR (0.79)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL30320509	0.86	F2 (0.66)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182556	0.86	CALCR (0.70)	CALCRF2CRHR1CRHR2GLP1R
SCHEMBL31182828	0.85	CALCR (0.71)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL29903351	0.85	CALCR (0.71)	CALCRF2CRHR1CRHR2HCRTR1
SCHEMBL31182483	0.85	CALCR (0.71)	CALCRF2CRHR1CRHR2HCRTR1

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