SCHEMBL31182940

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@@H](CCSC)C(=O)O)C(C)(C)C)C(C)(C)C)[C@@H](C)CC

nearest known ligand 0.70

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.59

▸	NPY2R	P49146	9/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	7/20	0.58

▸	TFPI	P10646	2/20	0.56

▸	CXCR4	P61073	2/20	0.55

▸	KDM1A	O60341	1/20	0.54

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
SCHEMBL31182776	0.89	NPY2R (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182555	0.89	CALCR (0.66)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29652676	0.88	TFPI (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182482	0.87	CXCR4 (0.61)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578733	0.86	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578729	0.86	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182542	0.86	NPY2R (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182597	0.86	KEAP1 (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432190	0.86	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658265	0.86	NPY2R (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R

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