SCHEMBL29499666

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

nearest known ligand 0.60

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	2/20	0.60

▸	NPY4R	P50391	7/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	NPY2R	P49146	4/20	0.54

▸	NPY5R	Q15761	4/20	0.54

▸	PTH1R	Q03431	1/20	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
SCHEMBL29499667	0.96	KISS1R (0.55)	KISS1R
SCHEMBL30239836	0.89	BACE1 (0.58)	—
SCHEMBL31343369	0.87	BACE1 (0.61)	KISS1R
SCHEMBL30571147	0.86	BACE1 (0.58)	KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30571155	0.86	BACE1 (0.54)	KISS1RPTH1R
SCHEMBL30637754	0.85	BACE1 (0.57)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL31672193	0.85	BACE1 (0.61)	—
SCHEMBL31657703	0.85	KISS1R (0.53)	KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29726737	0.84	BACE1 (0.53)	KISS1R
SCHEMBL16299172	0.84	KISS1R (0.52)	KISS1RNPY4RNPY1RNPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11319374-B2	Inhibitors of prototypic galectin dimerization and uses thereof	INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA)	2022-05-03	—	—	US	claimed
US-11319374-B2	Inhibitors of prototypic galectin dimerization and uses thereof	INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA)	2022-05-03	—	—	US	disclosed