SCHEMBL16645013

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOC(=O)[C@H](C)N)OC)N(C)[C@@H](C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	2/20	0.40

▸	CYP3A4	P08684	1/20	0.37

▸	ACE	P12821	2/20	0.37

▸	ACE2	Q9BYF1	2/20	0.37

▸	SSTR2	P30874	2/20	0.36

▸	ANPEP	P15144	1/20	0.35

▸	LNPEP	Q9UIQ6	1/20	0.35

▸	CTSD	P07339	2/20	0.34

▸	OPRM1	P35372	1/20	0.34

▸	OPRD1	P41143	1/20	0.34

▸	OPRK1	P41145	1/20	0.34

▸	PTPN1	P18031	1/20	0.34

▸	TACR2	P21452	1/20	0.34

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
SCHEMBL16645155	0.92	REN (0.44)	RENCYP3A4ACEACE2SSTR2
SCHEMBL16645016	0.91	REN (0.42)	RENACEACE2CTSDOPRM1
SCHEMBL17381577	0.90	SSTR2 (0.39)	RENCYP3A4ACEACE2SSTR2
SCHEMBL20750956	0.90	CYP3A4 (0.38)	RENCYP3A4ACEACE2SSTR2
SCHEMBL21251058	0.90	CYP3A4 (0.38)	RENCYP3A4ACEACE2SSTR2
SCHEMBL18601979	0.90	CYP3A4 (0.39)	RENCYP3A4ACEACE2SSTR2
SCHEMBL25930789	0.90	CYP3A4 (0.39)	RENCYP3A4ACEACE2SSTR2
SCHEMBL22419946	0.90	CYP3A4 (0.39)	RENCYP3A4ACEACE2SSTR2
SCHEMBL20224718	0.90	CYP3A4 (0.43)	RENCYP3A4SSTR2ANPEPLNPEP
SCHEMBL20861894	0.90	REN (0.38)	RENCYP3A4ACEACE2SSTR2

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
WO-2015054659-A1	PROTEIN-POLYMER-DRUG CONJUGATES	MERSANA THERAPEUTICS, INC. (US)	2015-04-16	—	—	WO	disclosed