SCHEMBL30064735

CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	9/20	0.58

▸	NPY1R	P25929	6/20	0.58

▸	NPY2R	P49146	4/20	0.58

▸	NPY5R	Q15761	4/20	0.58

▸	KDM1A	O60341	3/20	0.56

▸	NMUR2	Q9GZQ4	2/20	0.55

▸	NMUR1	Q9HB89	2/20	0.55

▸	OPRM1	P35372	6/20	0.55

▸	OPRK1	P41145	6/20	0.55

▸	MAOB	P27338	1/20	0.55

▸	KDM5A	P29375	1/20	0.55

▸	KDM1B	Q8NB78	1/20	0.55

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
SCHEMBL11884805	0.93	NMUR2 (0.61)	NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL11884818	0.93	NMUR2 (0.61)	NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL30605461	0.92	NMUR2 (0.61)	NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL30436277	0.88	NTSR1 (0.60)	NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL30605471	0.88	NMUR2 (0.63)	NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL30567819	0.87	KISS1R (0.64)	—
SCHEMBL29356641	0.87	KDM1A (0.65)	NPY4RNPY1RNPY2RNPY5RKDM1A
SCHEMBL31437672	0.87	NTSR1 (0.64)	OPRM1OPRK1
SCHEMBL29973053	0.87	NMUR2 (0.62)	NPY4RNPY1RNPY2RNPY5RKDM1A
SCHEMBL29914692	0.87	OPRM1 (0.50)	NPY4RNPY1RNPY2RNPY5RKDM1A

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
EP-4051309-A1	LHRH-PACLITAXEL CONJUGATES AND METHODS OF USE	Worcester Polytechnic Institute (US)	2022-09-07	—	—	EP	disclosed