SCHEMBL31182890

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

nearest known ligand 0.67

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.67

▸	VIPR1	P32241	4/20	0.65

▸	VIPR2	P41587	6/20	0.64

▸	GLP1R	P43220	3/20	0.62

▸	ECE1	P42892	1/20	0.62

▸	MUS81	Q96NY9	1/20	0.62

▸	CCKBR	P32239	1/20	0.60

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
SCHEMBL30629356	0.94	VIPR1 (0.71)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30063022	0.93	TFPI (0.64)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL31563800	0.93	VIPR1 (0.73)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL38664796	0.92	VIPR1 (0.67)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30495814	0.92	VIPR1 (0.71)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30429336	0.92	VIPR1 (0.65)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30906551	0.91	VIPR1 (0.62)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30874399	0.91	GLP1R (0.75)	GLP1RECE1MUS81CCKBR
SCHEMBL30495775	0.91	VIPR1 (0.70)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30906449	0.91	VIPR1 (0.61)	TFPIVIPR1VIPR2GLP1RECE1

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