SCHEMBL20714183

CCCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)CC

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	3/20	0.55

▸	CTSD	P07339	11/20	0.54

▸	REN	P00797	1/20	0.53

▸	PSMB5	P28074	2/20	0.51

▸	PSEN1	P49768	1/20	0.49

▸	PSEN2	P49810	1/20	0.49

▸	APH1B	Q8WW43	1/20	0.49

▸	NCSTN	Q92542	1/20	0.49

▸	APH1A	Q96BI3	1/20	0.49

▸	PSENEN	Q9NZ42	1/20	0.49

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
SCHEMBL20714303	0.99	KISS1R (0.54)	KISS1RCTSDRENPSMB5PSEN1
SCHEMBL23331147	0.99	KISS1R (0.54)	KISS1RCTSDRENPSMB5PSEN1
SCHEMBL20714226	0.99	KISS1R (0.54)	KISS1RCTSDRENPSMB5PSEN1
SCHEMBL20714498	0.97	KISS1R (0.56)	KISS1RCTSDRENPSMB5PSEN1
SCHEMBL20714227	0.95	KISS1R (0.56)	KISS1RCTSDRENPSMB5PSEN1
SCHEMBL20714244	0.95	KISS1R (0.57)	KISS1RCTSDPSMB5
SCHEMBL20714185	0.95	KISS1R (0.57)	KISS1RCTSDPSMB5
SCHEMBL23330932	0.95	CTSD (0.56)	CTSDRENPSMB5
SCHEMBL23331359	0.91	KISS1R (0.59)	KISS1RCTSDPSMB5
SCHEMBL23330990	0.91	KISS1R (0.62)	KISS1RRENPSMB5

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-2019028463-A1	LINEAR LIPOPEPTIDE PAENIPEPTINS AND METHODS OF USING THE SAME	BIOVENTURES, LLC (US)	2019-02-07	—	—	WO	disclosed