SCHEMBL29499667

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(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	2/20	0.55

▸	BACE1	P56817	11/20	0.54

▸	BACE2	Q9Y5Z0	2/20	0.53

▸	VIPR1	P32241	1/20	0.53

▸	CTSD	P07339	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
SCHEMBL29499666	0.96	KISS1R (0.60)	KISS1R
SCHEMBL30239836	0.92	BACE1 (0.58)	BACE1BACE2VIPR1CTSD
SCHEMBL30571147	0.89	BACE1 (0.58)	KISS1RBACE1BACE2VIPR1CTSD
SCHEMBL31314356	0.89	NPY4R (0.59)	BACE1BACE2CTSD
SCHEMBL30571155	0.89	BACE1 (0.54)	KISS1RBACE1VIPR1
SCHEMBL29679948	0.88	VIPR1 (0.58)	KISS1RBACE1VIPR1
SCHEMBL29679824	0.88	VIPR1 (0.58)	KISS1RBACE1VIPR1
SCHEMBL31672193	0.88	BACE1 (0.61)	BACE1BACE2VIPR1CTSD
SCHEMBL31005900	0.87	BACE1 (0.59)	BACE1BACE2VIPR1CTSD
SCHEMBL31430936	0.87	KISS1R (0.62)	KISS1RVIPR1

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