SCHEMBL24864507

CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)C(CNC(=O)CCCCCN1C(=O)C=CC1=O)NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	FAP	Q12884	5/20	0.40

▸	SIRT2	Q8IXJ6	3/20	0.31

▸	SIRT1	Q96EB6	2/20	0.31

▸	FURIN	P09958	2/20	0.30

▸	NPY1R	P25929	1/20	0.30

▸	NPY2R	P49146	1/20	0.30

▸	NPY4R	P50391	1/20	0.30

▸	NPY5R	Q15761	1/20	0.30

▸	GLP1R	P43220	1/20	0.30

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
SCHEMBL24864380	0.98	FAP (0.40)	FAPSIRT2SIRT1FURINGLP1R
SCHEMBL24864405	0.98	FAP (0.40)	FAPSIRT2SIRT1FURINNPY1R
SCHEMBL29340481	0.97	FAP (0.40)	FAPSIRT2SIRT1FURINNPY1R
SCHEMBL24864498	0.97	FAP (0.40)	FAPSIRT2SIRT1GLP1R
SCHEMBL29346082	0.95	FAP (0.40)	FAPSIRT2SIRT1FURINGLP1R
SCHEMBL24864625	0.94	FAP (0.38)	FAPSIRT2SIRT1GLP1R
SCHEMBL24864408	0.94	FAP (0.40)	FAPFURINGLP1R
SCHEMBL29346068	0.93	FAP (0.41)	FAPSIRT2SIRT1FURINNPY1R
SCHEMBL24864416	0.93	FAP (0.40)	FAPGLP1R
SCHEMBL29346067	0.93	FAP (0.42)	FAPFURINNPY1RNPY2RNPY4R

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
WO-2023280227-A2	LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME	PROFOUNDBIO US CO. (US)	2023-01-12	—	—	WO	disclosed