SCHEMBL29675079

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.60

▸	NTSR2	O95665	1/20	0.55

▸	NTSR1	P30989	1/20	0.55

▸	SORT1	Q99523	1/20	0.55

▸	KISS1R	Q969F8	3/20	0.54

▸	OPRM1	P35372	2/20	0.53

▸	OPRK1	P41145	2/20	0.53

▸	CAPN1	P07384	2/20	0.53

▸	CTSB	P07858	2/20	0.53

▸	CTSL	P07711	1/20	0.53

▸	CTSH	P09668	1/20	0.53

▸	CTSS	P25774	1/20	0.53

▸	CTSK	P43235	1/20	0.53

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
SCHEMBL28202049	1.00	CXCR4 (0.60)	CXCR4NTSR2NTSR1SORT1KISS1R
Omiganan SCHEMBL27824120	0.99	CXCR4 (0.60)	CXCR4NTSR2NTSR1SORT1KISS1R
Omiganan SCHEMBL29410943	0.98	CXCR4 (0.59)	CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL29675119	0.97	CXCR4 (0.59)	CXCR4KISS1ROPRM1OPRK1
SCHEMBL29674929	0.97	CXCR4 (0.59)	CXCR4KISS1ROPRM1OPRK1
SCHEMBL29412263	0.96	CXCR4 (0.61)	CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL30273393	0.93	CXCR4 (0.61)	CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL29443798	0.91	CXCR4 (0.60)	CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL29367784	0.91	NTSR2 (0.62)	CXCR4NTSR2NTSR1SORT1OPRM1
SCHEMBL30498028	0.89	OPRM1 (0.65)	OPRM1OPRK1

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-107661240-B	Submicron emulsion repair stock solution composition, preparation method thereof and cosmetic composition containing submicron emulsion repair stock solution composition	山东千色生物科技有限公司	2022-05-31	—	—	CN	disclosed