SCHEMBL30571144

CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.62

▸	BACE1	P56817	7/20	0.57

▸	CTSD	P07339	1/20	0.55

▸	VIPR1	P32241	1/20	0.55

▸	KISS1R	Q969F8	3/20	0.52

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
SCHEMBL30880856	0.94	TFPI (0.67)	TFPIVIPR1KISS1R
SCHEMBL7456624	0.92	TFPI (0.56)	TFPIBACE1KISS1R
SCHEMBL7456632	0.92	TFPI (0.56)	TFPIBACE1KISS1R
SCHEMBL30605187	0.91	TFPI (0.52)	TFPIBACE1CTSDVIPR1
SCHEMBL30571157	0.90	TFPI (0.60)	TFPIVIPR1KISS1R
SCHEMBL30910840	0.89	TFPI (0.67)	TFPIVIPR1KISS1R
SCHEMBL29993768	0.89	NPY4R (0.55)	TFPI
SCHEMBL29993329	0.89	NPY4R (0.55)	TFPI
SCHEMBL29798016	0.89	BACE1 (0.61)	BACE1CTSDKISS1R
SCHEMBL13540736	0.89	TFPI (0.68)	TFPIVIPR1KISS1R

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-20230263881-A1	Vaccine compositions for SARS-related coronaviruses and methods of use	ASCIONE RICHARD (US)	2023-08-24	—	—	US	disclosed