SCHEMBL9540901

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	17/20	0.64

▸	NTSR2	O95665	13/20	0.64

▸	SORT1	Q99523	12/20	0.63

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
SCHEMBL9540952	0.99	NTSR1 (0.65)	NTSR1NTSR2SORT1
SCHEMBL9540762	0.91	NTSR1 (0.69)	NTSR1NTSR2SORT1
SCHEMBL30312779	0.91	NTSR1 (0.72)	NTSR1NTSR2SORT1
SCHEMBL30037824	0.91	NTSR2 (0.73)	NTSR1NTSR2SORT1
SCHEMBL30034783	0.91	NTSR2 (0.73)	NTSR1NTSR2SORT1
SCHEMBL30864885	0.89	NTSR1 (0.78)	NTSR1NTSR2SORT1
SCHEMBL9542387	0.88	OPRM1 (0.64)	NTSR1NTSR2
SCHEMBL29370150	0.88	NTSR1 (0.71)	NTSR1NTSR2SORT1
SCHEMBL29436251	0.88	NTSR1 (0.71)	NTSR1NTSR2SORT1
SCHEMBL31738532	0.87	NTSR1 (0.76)	NTSR1NTSR2SORT1

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-1993000359-A1	MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM	THE DU PONT MERCK PHARMACEUTICAL COMPANY (US)	1993-01-07	—	—	WO	claimed