SCHEMBL11012331

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	4/20	0.51

▸	F2	P00734	2/20	0.47

▸	PTPN1	P18031	1/20	0.44

▸	BMP1	P13497	1/20	0.44

▸	CTSB	P07858	1/20	0.44

▸	CTSK	P43235	1/20	0.44

▸	KISS1R	Q969F8	1/20	0.43

▸	CCKBR	P32239	2/20	0.43

▸	PSMB1	P20618	5/20	0.43

▸	PSMB5	P28074	5/20	0.43

▸	PSMB2	P49721	5/20	0.43

▸	SIRT2	Q8IXJ6	1/20	0.42

▸	CCKAR	P32238	1/20	0.42

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
SCHEMBL9417371	0.88	PTPN1 (0.49)	F2PTPN1BMP1CCKBRPSMB1
SCHEMBL7448118	0.83	REN (0.53)	RENPTPN1CCKBRPSMB1PSMB5
SCHEMBL11011996	0.82	REN (0.57)	RENPTPN1CTSBCTSKPSMB1
SCHEMBL10337144	0.82	PTGER4 (0.47)	PTPN1BMP1PSMB1PSMB5PSMB2
SCHEMBL11014003	0.80	REN (0.47)	REN
SCHEMBL9716847	0.80	REN (0.66)	RENCTSBCTSK
SCHEMBL7441309	0.79	ITGB3 (0.46)	RENPTPN1CCKBR
SCHEMBL11010625	0.78	REN (0.66)	RENCTSBCTSK
SCHEMBL11013919	0.78	REN (0.66)	RENCTSBCTSK
SCHEMBL11013790	0.78	REN (0.48)	RENF2

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
EP-0143746-A2	5-Amino 4-hydroxy-valeryl-substituted derivatives	CIBA-GEIGY AG (CH)	1985-06-05	—	—	EP	disclosed