SCHEMBL29405987

CSCC[C@H](NC(=O)C(CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	2/20	0.74

▸	NTSR2	O95665	1/20	0.62

▸	NTSR1	P30989	1/20	0.62

▸	SORT1	Q99523	1/20	0.62

▸	NMBR	P28336	2/20	0.59

▸	GRPR	P30550	2/20	0.59

▸	OPRD1	P41143	3/20	0.57

▸	OPRM1	P35372	1/20	0.57

▸	OPRK1	P41145	1/20	0.57

▸	CXCR4	P61073	1/20	0.56

▸	KISS1R	Q969F8	1/20	0.56

▸	F2	P00734	1/20	0.55

▸	NMUR2	Q9GZQ4	3/20	0.55

▸	NMUR1	Q9HB89	2/20	0.55

▸	CXCL8	P10145	1/20	0.55

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
SCHEMBL31477723	1.00	TACR1 (0.74)	TACR1NTSR2NTSR1SORT1NMBR
SCHEMBL29350118	0.95	TACR1 (0.78)	TACR1NTSR2NTSR1SORT1NMBR
SCHEMBL29535981	0.95	TACR1 (0.78)	TACR1NTSR2NTSR1SORT1NMBR
SCHEMBL29543021	0.95	TACR1 (0.78)	TACR1NTSR2NTSR1SORT1NMBR
SCHEMBL29349748	0.89	TACR1 (0.68)	TACR1NTSR2NTSR1SORT1NMBR
SCHEMBL28271821	0.89	TACR1 (0.68)	TACR1NTSR2NTSR1SORT1NMBR
Substance P SCHEMBL1116347	0.89	OPRD1 (0.67)	OPRD1OPRM1OPRK1F2NMUR2
Substance P SCHEMBL17887651	0.89	OPRD1 (0.67)	OPRD1OPRM1OPRK1F2NMUR2
Substance P SCHEMBL29831869	0.89	OPRD1 (0.67)	OPRD1OPRM1OPRK1F2NMUR2
Substance P SCHEMBL19057679	0.89	OPRD1 (0.67)	OPRD1OPRM1OPRK1F2NMUR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-110473052-B	Community discovery method based on user interaction reputation	西安工程大学	2022-02-22	—	—	CN	claimed
CN-110473052-B	Community discovery method based on user interaction reputation	西安工程大学	2022-02-22	—	—	CN	disclosed