SCHEMBL30974623

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

nearest known ligand 0.63

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.63

▸	KEAP1	Q14145	1/20	0.58

▸	VIPR1	P32241	4/20	0.57

▸	VIPR2	P41587	6/20	0.56

▸	GLP1R	P43220	3/20	0.54

▸	ECE1	P42892	1/20	0.54

▸	MUS81	Q96NY9	1/20	0.54

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
SCHEMBL30165222	0.96	TFPI (0.61)	TFPIKEAP1VIPR1VIPR2
Nerinetide SCHEMBL29371548	0.95	TFPI (0.65)	TFPIKEAP1VIPR1VIPR2GLP1R
SCHEMBL30220503	0.94	TFPI (0.66)	TFPIKEAP1VIPR1VIPR2GLP1R
SCHEMBL30658586	0.91	TFPI (0.67)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29702365	0.89	TFPI (0.78)	TFPIVIPR1VIPR2GLP1R
SCHEMBL30629356	0.88	VIPR1 (0.71)	TFPIKEAP1VIPR1VIPR2GLP1R
SCHEMBL29489273	0.87	TFPI (0.73)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29519384	0.87	TFPI (0.68)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29409598	0.87	TFPI (0.61)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL29702470	0.87	TFPI (0.54)	TFPIKEAP1VIPR1VIPR2GLP1R

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-118085038-A	Polypeptide with therapeutic effect on kidney injury and application thereof	傅文侠	2024-05-28	—	—	CN	disclosed