SCHEMBL31013873

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

nearest known ligand 0.52

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.51

▸	NMUR2	Q9GZQ4	4/20	0.50

▸	NMUR1	Q9HB89	4/20	0.50

▸	QRFPR	Q96P65	1/20	0.47

▸	PTH1R	Q03431	1/20	0.47

▸	VIPR1	P32241	1/20	0.47

▸	ECE1	P42892	1/20	0.47

▸	GLP1R	P43220	1/20	0.47

▸	MUS81	Q96NY9	1/20	0.47

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
SCHEMBL30354441	1.00	TFPI (0.51)	TFPINMUR2NMUR1QRFPRPTH1R
SCHEMBL30097927	0.93	TFPI (0.57)	TFPIPTH1RVIPR1ECE1GLP1R
SCHEMBL30354438	0.89	TFPI (0.49)	TFPINMUR2NMUR1
SCHEMBL31013844	0.89	TFPI (0.49)	TFPINMUR2NMUR1
SCHEMBL30312703	0.88	IL23R (0.50)	TFPIPTH1R
SCHEMBL30312682	0.88	IL23R (0.50)	TFPIPTH1R
SCHEMBL30312709	0.88	IL23R (0.50)	TFPIPTH1R
SCHEMBL30312645	0.88	IL23R (0.50)	TFPIPTH1R
SCHEMBL30312711	0.88	IL23R (0.50)	TFPIPTH1R
SCHEMBL30312675	0.88	IL23R (0.50)	TFPIPTH1R

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-115947786-B	Self-assembled short peptide with crystallization induction capability and long-acting local anesthetic and antitumor drug prepared from self-assembled short peptide	四川大学华西医院	2024-07-26	—	—	CN	disclosed