SCHEMBL8910197

NC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	2/20	0.36

▸	MEN1	O00255	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	CYP51A1	Q16850	1/20	0.35

▸	ATM	Q13315	1/20	0.34

▸	SIRT2	Q8IXJ6	7/20	0.33

▸	P2RX1	P51575	1/20	0.33

▸	MLLT1	Q03111	1/20	0.32

▸	F2R	P25116	1/20	0.32

▸	PYGL	P06737	2/20	0.32

▸	SMYD3	Q9H7B4	1/20	0.32

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
SCHEMBL8910552	0.93	REN (0.36)	RENSIRT2P2RX1F2R
SCHEMBL8908848	0.93	F2R (0.37)	RENSIRT2P2RX1F2R
SCHEMBL8909424	0.92	SIRT2 (0.34)	RENSIRT2P2RX1PYGL
SCHEMBL8910523	0.91	KDM4E (0.38)	MEN1KMT2ASIRT2PYGL
SCHEMBL8910563	0.82	REN (0.41)	RENMEN1KMT2ACYP51A1ATM
SCHEMBL9800481	0.82	REN (0.52)	RENCYP51A1P2RX1F2RPYGL
SCHEMBL8909363	0.76	P2RX1 (0.52)	RENP2RX1F2R
SCHEMBL8910700	0.76	REN (0.40)	RENP2RX1F2RPYGL
SCHEMBL8909618	0.75	SIRT2 (0.37)	RENSIRT2
SCHEMBL9800700	0.75	REN (0.51)	RENSIRT2P2RX1F2RPYGL

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
US-5688946-A	DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS	HOFFMANN LA ROCHE INC. (US)	1997-11-18	—	—	US	disclosed