SCHEMBL30571135

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.48

▸	GLP1R	P43220	4/20	0.47

▸	VIPR1	P32241	2/20	0.46

▸	OPRL1	P41146	1/20	0.46

▸	VIPR2	P41587	1/20	0.45

▸	GRIN2D	O15399	1/20	0.45

▸	GRIN3B	O60391	1/20	0.45

▸	GRIN1	Q05586	1/20	0.45

▸	GRIN2A	Q12879	1/20	0.45

▸	GRIN2B	Q13224	1/20	0.45

▸	GRIN2C	Q14957	1/20	0.45

▸	GRIN3A	Q8TCU5	1/20	0.45

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
SCHEMBL29777781	0.92	RAMP3 (0.47)	TFPIOPRL1
SCHEMBL30432511	0.90	TFPI (0.52)	TFPIGLP1RVIPR1
SCHEMBL29777749	0.89	TFPI (0.50)	TFPIGLP1ROPRL1GRIN2DGRIN3B
SCHEMBL30423734	0.89	NMT1 (0.50)	TFPIGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30512522	0.88	TFPI (0.51)	TFPIGLP1ROPRL1GRIN2DGRIN3B
SCHEMBL30536311	0.88	VIPR1 (0.55)	TFPIGLP1RVIPR1VIPR2
SCHEMBL29777893	0.86	RXFP1 (0.48)	TFPIGLP1RGRIN2DGRIN3BGRIN1
SCHEMBL30973983	0.86	NMT1 (0.49)	TFPIOPRL1GRIN2DGRIN3BGRIN1
SCHEMBL30536309	0.86	BACE1 (0.41)	VIPR1VIPR2GRIN2DGRIN3BGRIN1
SCHEMBL30262131	0.86	TFPI (0.51)	TFPIGLP1RVIPR1OPRL1

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-20230263881-A1	Vaccine compositions for SARS-related coronaviruses and methods of use	ASCIONE RICHARD (US)	2023-08-24	—	—	US	disclosed