SCHEMBL4592138

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(Cc1ccc(C)cc1)c1ccc(C(C)C)cc1.CCc1ccc(CN(C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)c2ccc(C(C)C)cc2)cc1.CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccc(C)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CNR2	P34972	4/20	0.34

▸	CNR1	P21554	3/20	0.34

▸	PDK1	Q15118	1/20	0.33

▸	POLB	P06746	1/20	0.33

▸	NR1H4	Q96RI1	1/20	0.32

▸	MAPT	P10636	3/20	0.32

▸	THRB	P10828	2/20	0.32

▸	TDP1	Q9NUW8	1/20	0.32

▸	CYP3A4	P08684	1/20	0.32

▸	LMNA	P02545	1/20	0.31

▸	TP53	P04637	1/20	0.31

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
SCHEMBL4592628	0.93	CNR2 (0.38)	CNR2CNR1PDK1POLBNR1H4
SCHEMBL4592431	0.91	CNR2 (0.38)	CNR2CNR1POLBNR1H4MAPT
SCHEMBL4592219	0.91	MAPT (0.37)	CNR2POLBNR1H4MAPTTHRB
SCHEMBL4592189	0.91	C5AR1 (0.37)	PDK1POLBMAPTTHRBCYP3A4
SCHEMBL4592454	0.89	CNR2 (0.40)	CNR2CNR1PDK1POLBMAPT
SCHEMBL4592810	0.88	UTS2R (0.35)	CNR2PDK1THRBCYP3A4
SCHEMBL4592510	0.87	CYP3A4 (0.39)	CNR2CNR1PDK1POLBMAPT
SCHEMBL4592571	0.87	CNR2 (0.38)	CNR2CNR1POLBMAPTTDP1
SCHEMBL4592610	0.85	C5AR1 (0.33)	POLBMAPTTHRBCYP3A4TP53
SCHEMBL4592269	0.85	PDK1 (0.38)	CNR2CNR1PDK1MAPTLMNA

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-1885691-A1	C5A RECEPTOR ANTAGONISTS	Jerini AG (DE)	2008-02-13	—	—	EP	claimed
WO-2006128670-A1	C5A RECEPTOR ANTAGONISTS	JERINI AG (DE)	2006-12-07	—	—	WO	claimed