SCHEMBL4668271

O=C(CNC(=O)C1c2ccccc2Oc2ccccc21)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1.O=C(CNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CCR2	P41597	14/20	0.43

▸	MAPT	P10636	2/20	0.37

▸	MAPK1	P28482	2/20	0.37

▸	GAA	P10253	1/20	0.36

▸	XBP1	P17861	1/20	0.36

▸	KMT2A	Q03164	1/20	0.36

▸	SMN1; SMN2	Q16637	1/20	0.36

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
SCHEMBL4668272	1.00	CCR2 (0.43)	CCR2MAPTMAPK1GAAXBP1
SCHEMBL3870005	0.87	CCR2 (0.45)	CCR2MAPTMAPK1GAAXBP1
SCHEMBL3870009	0.87	CCR2 (0.45)	CCR2MAPTMAPK1GAAXBP1
SCHEMBL3869989	0.86	MAPK1 (0.46)	CCR2MAPTMAPK1KMT2A
SCHEMBL3869991	0.86	MAPK1 (0.46)	CCR2MAPTMAPK1KMT2A
SCHEMBL3871380	0.79	CCR1 (0.47)	CCR2MAPTMAPK1KMT2A
SCHEMBL3871378	0.79	CCR1 (0.47)	CCR2MAPTMAPK1KMT2A
SCHEMBL13853113	0.75	CCR2 (0.48)	CCR2MAPTMAPK1KMT2A
SCHEMBL3868837	0.73	CCR2 (0.72)	CCR2
SCHEMBL3874207	0.73	CCR2 (0.72)	CCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1891064-A1	N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS	Laboratorios Almirall, S.A. (ES)	2008-02-27	—	—	EP	disclosed
WO-2006133802-A1	N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS	LABORATORIOS ALMIRALL, S.A. (ES)	2006-12-21	—	—	WO	disclosed