SCHEMBL31183000

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	8/20	0.63

▸	TFPI	P10646	1/20	0.63

▸	CCKBR	P32239	1/20	0.59

▸	GLP1R	P43220	1/20	0.59

▸	VIPR1	P32241	1/20	0.58

▸	CALCR	P30988	3/20	0.56

▸	VIPR2	P41587	1/20	0.56

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
SCHEMBL29967414	0.92	PTH1R (0.63)	PTH1RTFPICCKBRGLP1RVIPR1
SCHEMBL31182762	0.92	VIPR1 (0.62)	PTH1RTFPICCKBRGLP1RVIPR1
SCHEMBL30432639	0.92	TFPI (0.59)	PTH1RTFPICCKBRGLP1RVIPR1
SCHEMBL29836383	0.91	TFPI (0.60)	PTH1RTFPICCKBRGLP1RVIPR1
SCHEMBL29523535	0.91	VIPR1 (0.69)	PTH1RTFPICCKBRGLP1RVIPR1
SCHEMBL30495662	0.91	TFPI (0.69)	TFPICCKBRGLP1RVIPR1VIPR2
SCHEMBL29836305	0.91	TFPI (0.63)	PTH1RTFPICCKBRGLP1RVIPR1
SCHEMBL30432173	0.90	VIPR1 (0.69)	PTH1RTFPICCKBRGLP1RVIPR1
SCHEMBL29836281	0.90	TFPI (0.66)	PTH1RTFPICCKBRGLP1RVIPR1
SCHEMBL29836425	0.90	TFPI (0.66)	PTH1RTFPICCKBRGLP1RVIPR1

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