SCHEMBL31182498

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

nearest known ligand 0.70

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.70

▸	F2	P00734	4/20	0.68

▸	C5AR1	P21730	1/20	0.65

▸	NPY2R	P49146	6/20	0.63

▸	NPY4R	P50391	6/20	0.63

▸	NPY5R	Q15761	6/20	0.63

▸	NPY1R	P25929	4/20	0.63

▸	TFPI	P10646	2/20	0.63

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	RAMP1	O60894	1/20	0.62

▸	RAMP2	O60895	1/20	0.62

▸	RAMP3	O60896	1/20	0.62

▸	CALCRL	Q16602	1/20	0.62

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
SCHEMBL31182519	0.92	CALCR (0.68)	CALCRF2C5AR1NPY2RNPY4R
SCHEMBL30686826	0.92	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686815	0.92	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686828	0.92	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686818	0.92	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686816	0.92	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686823	0.92	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686829	0.92	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686817	0.92	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686821	0.92	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R

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