SCHEMBL30712944

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

nearest known ligand 0.68

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.68

▸	VIPR1	P32241	4/20	0.65

▸	VIPR2	P41587	6/20	0.62

▸	GLP1R	P43220	5/20	0.60

▸	ECE1	P42892	1/20	0.60

▸	MUS81	Q96NY9	1/20	0.60

▸	CCKBR	P32239	1/20	0.59

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
SCHEMBL30063022	0.94	TFPI (0.64)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30176419	0.92	VIPR1 (0.68)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30607318	0.92	VIPR1 (0.65)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30495613	0.92	VIPR1 (0.66)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL31563800	0.91	VIPR1 (0.73)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30495734	0.91	VIPR1 (0.62)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30906541	0.91	TFPI (0.61)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL31167348	0.91	TFPI (0.60)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29489273	0.91	TFPI (0.73)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL31683281	0.91	VIPR1 (0.72)	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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed