SCHEMBL30712949

CC(C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	VIPR2	P41587	5/20	0.55

▸	BACE1	P56817	1/20	0.55

▸	BACE2	Q9Y5Z0	1/20	0.55

▸	GLP1R	P43220	4/20	0.55

▸	OPRM1	P35372	2/20	0.54

▸	OPRD1	P41143	2/20	0.54

▸	OPRK1	P41145	2/20	0.54

▸	VIPR1	P32241	4/20	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
SCHEMBL30712924	0.91	TFPI (0.61)	TFPIVIPR2BACE1BACE2OPRM1
SCHEMBL30825056	0.91	OPRL1 (0.54)	TFPI
SCHEMBL30271991	0.90	TFPI (0.66)	TFPIVIPR2GLP1RVIPR1
SCHEMBL30836920	0.90	TFPI (0.66)	TFPIVIPR2GLP1RVIPR1
SCHEMBL30271990	0.88	TFPI (0.67)	TFPIBACE1BACE2GLP1RVIPR1
SCHEMBL30168728	0.88	TFPI (0.58)	TFPIVIPR2GLP1RVIPR1
SCHEMBL30974088	0.88	BACE1 (0.62)	TFPIBACE1OPRM1OPRD1OPRK1
SCHEMBL30721553	0.87	TFPI (0.66)	TFPIBACE1BACE2GLP1RVIPR1
SCHEMBL29373682	0.87	TFPI (0.68)	TFPIVIPR2BACE1BACE2GLP1R
SCHEMBL31000924	0.87	TFPI (0.64)	TFPIGLP1ROPRM1OPRD1OPRK1

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