SCHEMBL30562937

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

nearest known ligand 0.62

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.62

▸	IL23R	Q5VWK5	7/20	0.54

▸	KEAP1	Q14145	1/20	0.53

▸	OPRL1	P41146	1/20	0.50

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
SCHEMBL30350761	1.00	TFPI (0.62)	TFPIIL23RKEAP1OPRL1
SCHEMBL31301705	0.97	TFPI (0.58)	TFPIIL23RKEAP1OPRL1
SCHEMBL29670861	0.92	QRFPR (0.54)	TFPIIL23R
SCHEMBL29670860	0.91	QRFPR (0.57)	TFPIIL23R
SCHEMBL30350874	0.89	TFPI (0.55)	TFPIOPRL1
SCHEMBL30562995	0.89	TFPI (0.55)	TFPIOPRL1
SCHEMBL29805232	0.88	QRFPR (0.60)	TFPIIL23R
SCHEMBL29805279	0.88	QRFPR (0.60)	TFPIIL23R
SCHEMBL30521958	0.88	NPY4R (0.53)	TFPIIL23R
SCHEMBL31013870	0.88	NPY4R (0.55)	TFPIIL23RKEAP1

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-115925997-B	Polypeptide for intervening in treating cerebral hemorrhage and application thereof	南通大学	2023-09-12	—	—	CN	disclosed