SCHEMBL30012720

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.68

▸	VIPR1	P32241	4/20	0.66

▸	VIPR2	P41587	6/20	0.63

▸	GLP1R	P43220	5/20	0.63

▸	ECE1	P42892	1/20	0.63

▸	MUS81	Q96NY9	1/20	0.63

▸	CCKBR	P32239	1/20	0.60

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
SCHEMBL29580308	1.00	TFPI (0.68)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29531101	0.98	TFPI (0.69)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30567756	0.95	VIPR1 (0.72)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29395525	0.94	VIPR1 (0.62)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29364983	0.93	TFPI (0.63)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30116705	0.91	TFPI (0.66)	TFPIVIPR1GLP1RECE1MUS81
SCHEMBL31563800	0.91	VIPR1 (0.73)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL31683281	0.91	VIPR1 (0.72)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29489273	0.91	TFPI (0.73)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30880908	0.90	VIPR1 (0.62)	TFPIVIPR1VIPR2GLP1RECE1

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
CN-114426582-B	Nerve specific enolase monoclonal antibody and preparation method and application thereof	陕西脉元生物科技有限公司	2022-11-25	—	—	CN	disclosed