SCHEMBL30262137

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	7/20	0.58

▸	CALCR	P30988	4/20	0.55

▸	NTSR2	O95665	4/20	0.55

▸	F2	P00734	4/20	0.55

▸	NMUR2	Q9GZQ4	2/20	0.53

▸	NMUR1	Q9HB89	2/20	0.53

▸	SORT1	Q99523	2/20	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
SCHEMBL31199057	0.89	NPY2R (0.60)	NTSR1CALCRNTSR2F2
SCHEMBL30906353	0.89	CALCR (0.59)	NTSR1CALCRNTSR2F2SORT1
SCHEMBL30262121	0.89	CALCR (0.59)	NTSR1CALCRNTSR2F2
SCHEMBL31000876	0.86	CALCR (0.61)	NTSR1CALCRNTSR2F2
SCHEMBL30831411	0.86	CALCR (0.63)	CALCRF2
SCHEMBL31067241	0.84	NTSR1 (0.55)	NTSR1NTSR2F2SORT1
SCHEMBL30304511	0.84	CALCR (0.69)	CALCR
SCHEMBL30906513	0.84	RAMP3 (0.55)	NTSR1CALCRF2NMUR2NMUR1
SCHEMBL29416126	0.83	CALCR (0.63)	NTSR1CALCRNTSR2
SCHEMBL30432355	0.83	CALCR (0.65)	CALCRF2

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-20230040544-A1	COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC)	SAREPTA THERAPEUTICS, INC.	2023-02-09	—	—	US	disclosed