SCHEMBL8589876

CCN(CC)C(=O)N1CCc2cc(S(=O)(=O)N3C(=O)C(c4ccccc4Cl)c4c3cc([C@@H](CO)CCCCNC(=O)OCc3ccccc3)c(Cl)c4N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN11	Q06124	8/20	0.36

▸	ACE	P12821	2/20	0.35

▸	TP53	P04637	2/20	0.35

▸	ADRB2	P07550	2/20	0.34

▸	ADRB1	P08588	2/20	0.34

▸	ADRB3	P13945	2/20	0.34

▸	DPP4	P27487	1/20	0.34

▸	DPP8	Q6V1X1	1/20	0.34

▸	DPP9	Q86TI2	1/20	0.34

▸	DPP7	Q9UHL4	1/20	0.34

▸	POLB	P06746	2/20	0.33

▸	MMP2	P08253	1/20	0.33

▸	MMP9	P14780	1/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	CA1	P00915	1/20	0.33

▸	CA2	P00918	1/20	0.33

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
SCHEMBL8592355	0.78	CA1 (0.38)	ACEDPP4DPP8DPP9DPP7
SCHEMBL8592048	0.78	CA1 (0.38)	ACEDPP4DPP8DPP9DPP7
SCHEMBL7472874	0.75	PTPN11 (0.38)	PTPN11ADRB2ADRB1ADRB3MMP2
SCHEMBL7465134	0.72	PTPN11 (0.37)	PTPN11ACETP53MMP2MMP9
SCHEMBL8590366	0.68	DPP8 (0.42)	ACEDPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL8592278	0.65	TDP1 (0.37)	CA1CA2
SCHEMBL8591127	0.63	CA1 (0.43)	ACEDPP4DPP8DPP9DPP7
SCHEMBL8592432	0.63	CA1 (0.43)	ACEDPP4DPP8DPP9DPP7
SCHEMBL8592347	0.61	POLB (0.60)	TP53ADRB2ADRB1ADRB3POLB
SCHEMBL16162781	0.59	ADRB2 (0.50)	PTPN11ADRB2ADRB1ADRB3POLB

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-5773612-A	VASOPRESSIN OR OXYTOCIN RECEPTORS	SANOFI (FR)	1998-06-30	—	—	US	disclosed