SCHEMBL9691456

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

nearest known ligand 0.61

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.61

▸	OPRM1	P35372	6/20	0.55

▸	OPRK1	P41145	6/20	0.55

▸	CALCRL	Q16602	4/20	0.55

▸	AGTR1	P30556	1/20	0.53

▸	AGTR2	P50052	1/20	0.53

▸	F2	P00734	2/20	0.52

▸	KDM1A	O60341	1/20	0.52

▸	TFPI	P10646	2/20	0.51

▸	RAMP1	O60894	1/20	0.51

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
SCHEMBL9551264	0.96	EPHA2 (0.60)	EPHA2OPRM1OPRK1CALCRLKDM1A
SCHEMBL9807269	0.95	EPHA2 (0.63)	EPHA2AGTR1AGTR2KDM1ATFPI
SCHEMBL9691462	0.93	EPHA2 (0.59)	EPHA2OPRM1OPRK1CALCRLAGTR1
SCHEMBL9551316	0.92	EPHA2 (0.59)	EPHA2CALCRLAGTR1AGTR2RAMP1
SCHEMBL9807235	0.91	EPHA2 (0.64)	EPHA2OPRM1OPRK1
SCHEMBL9807252	0.91	EPHA2 (0.62)	EPHA2OPRM1OPRK1CALCRLKDM1A
SCHEMBL9807306	0.91	EPHA2 (0.62)	EPHA2OPRM1OPRK1CALCRLKDM1A
SCHEMBL9807257	0.89	NTSR1 (0.62)	EPHA2AGTR1AGTR2
SCHEMBL30678914	0.89	EPHA2 (0.57)	EPHA2OPRM1OPRK1CALCRLAGTR1
SCHEMBL9807262	0.89	EPHA2 (0.61)	EPHA2KDM1ATFPI

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-0166612-B1	POTENT THYMOPENTIN ANALOGS	ORTHO PHARMACEUTICAL CORPORATION (US)	1992-09-30	—	—	EP	disclosed