SCHEMBL29678654

CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.60

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	IL23R	Q5VWK5	2/20	0.53

▸	CTSL	P07711	3/20	0.53

▸	CTSS	P25774	3/20	0.53

▸	CTSK	P43235	3/20	0.53

▸	PRLHR	P49683	2/20	0.52

▸	CTSH	P09668	1/20	0.51

▸	KEAP1	Q14145	1/20	0.50

▸	CALCA	P06881	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
SCHEMBL29679068	1.00	CXCR4 (0.60)	CXCR4MAPK8MAPK9MAPK10NPY1R
SCHEMBL29679246	0.94	IL23R (0.56)	CXCR4MAPK8MAPK9MAPK10IL23R
SCHEMBL29678988	0.94	IL23R (0.56)	CXCR4MAPK8MAPK9MAPK10IL23R
SCHEMBL29679260	0.90	MAPK8 (0.63)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL29678825	0.90	MAPK8 (0.63)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL31182930	0.88	CXCR4 (0.62)	CXCR4MAPK8MAPK9MAPK10NPY1R
SCHEMBL31000908	0.85	NPY2R (0.72)	CXCR4MAPK8MAPK9MAPK10NPY1R
SCHEMBL29624137	0.84	CXCR4 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31064858	0.84	CXCR4 (0.56)	CXCR4IL23RCTSLCTSSCTSK
SCHEMBL30445030	0.84	RXFP1 (0.58)	CXCR4MAPK8MAPK9MAPK10KEAP1

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-110372800-B	Fusion polypeptide with multifunctional activity and application thereof	南京安吉生物科技有限公司	2022-06-07	—	—	CN	disclosed