SCHEMBL30712917

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

nearest known ligand 0.58

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	10/20	0.58

▸	BACE2	Q9Y5Z0	2/20	0.58

▸	VIPR1	P32241	2/20	0.57

▸	KISS1R	Q969F8	3/20	0.56

▸	VIPR2	P41587	2/20	0.55

▸	TFPI	P10646	1/20	0.54

▸	CTSD	P07339	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
SCHEMBL30924727	0.92	TFPI (0.54)	BACE1BACE2KISS1RTFPICTSD
SCHEMBL31000924	0.91	TFPI (0.64)	VIPR1TFPI
SCHEMBL31182917	0.90	BACE1 (0.57)	BACE1BACE2VIPR1KISS1RVIPR2
SCHEMBL31676914	0.90	VIPR1 (0.63)	VIPR1KISS1RVIPR2TFPI
SCHEMBL31676913	0.90	VIPR1 (0.63)	VIPR1KISS1RVIPR2TFPI
SCHEMBL31676910	0.89	VIPR1 (0.62)	VIPR1KISS1RVIPR2TFPI
SCHEMBL31676911	0.89	VIPR1 (0.62)	VIPR1KISS1RVIPR2TFPI
SCHEMBL31676915	0.89	VIPR1 (0.62)	VIPR1KISS1RVIPR2TFPI
SCHEMBL31676912	0.89	VIPR1 (0.62)	VIPR1KISS1RVIPR2TFPI
SCHEMBL29903366	0.89	VIPR1 (0.64)	BACE1BACE2VIPR1KISS1RVIPR2

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