SCHEMBL30317558

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.54

▸	OPRM1	P35372	2/20	0.54

▸	OPRD1	P41143	2/20	0.54

▸	OPRK1	P41145	1/20	0.54

▸	OPRL1	P41146	4/20	0.52

▸	MAPK8	P45983	1/20	0.52

▸	MAPK9	P45984	1/20	0.52

▸	MAPK10	P53779	1/20	0.52

▸	QRFPR	Q96P65	1/20	0.51

▸	IL23R	Q5VWK5	1/20	0.51

▸	NPY5R	Q15761	3/20	0.51

▸	NPY1R	P25929	2/20	0.51

▸	NPY4R	P50391	2/20	0.51

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
SCHEMBL30317546	0.90	TFPI (0.55)	TFPIOPRM1OPRD1OPRK1OPRL1
SCHEMBL29721606	0.90	TFPI (0.57)	TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL30880895	0.90	OPRM1 (0.60)	TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL31145953	0.88	TFPI (0.59)	TFPIOPRM1OPRD1OPRK1MAPK8
SCHEMBL31688341	0.88	TFPI (0.64)	TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL30819888	0.86	OPRM1 (0.57)	TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL29939606	0.86	NPY4R (0.59)	TFPIIL23RNPY5RNPY1RNPY4R
SCHEMBL31410873	0.86	TFPI (0.59)	TFPIOPRM1OPRD1OPRK1NPY5R
SCHEMBL31462067	0.86	QRFPR (0.58)	TFPIOPRM1OPRD1OPRK1QRFPR
SCHEMBL30880902	0.86	OPRM1 (0.63)	TFPIOPRM1OPRD1OPRK1IL23R

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-110003336-B	PD-1 single domain antibody, nucleotide sequence and kit	深圳普瑞金生物药业股份有限公司	2023-05-12	—	—	CN	disclosed