SCHEMBL22384167

CCCCc1ccc(-c2ccc(-c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N5CC(C(=O)OC(C)(C)C)C5)cc4)nc3)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KIFC1	Q9BW19	5/20	0.33

▸	S1PR1	P21453	3/20	0.32

▸	S1PR3	Q99500	2/20	0.32

▸	HRH2	P25021	2/20	0.32

▸	HRH1	P35367	2/20	0.32

▸	ACACB	O00763	1/20	0.32

▸	ALOX5AP	P20292	3/20	0.31

▸	FEN1	P39748	3/20	0.31

▸	RARB	P10826	1/20	0.31

▸	P2RY12	Q9H244	1/20	0.31

▸	MMP2	P08253	1/20	0.30

▸	MMP3	P08254	1/20	0.30

▸	MEN1	O00255	1/20	0.30

▸	POLB	P06746	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

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
SCHEMBL17834395	1.00	KIFC1 (0.33)	KIFC1S1PR1S1PR3HRH2HRH1
SCHEMBL17825503	0.93	KIFC1 (0.36)	KIFC1S1PR1RARBMMP2MMP3
SCHEMBL17825537	0.93	KIFC1 (0.36)	KIFC1S1PR1RARBMMP2MMP3
SCHEMBL22384132	0.90	ACACB (0.33)	HRH2HRH1ACACBALOX5APFEN1
SCHEMBL17834409	0.90	ACACB (0.33)	HRH2HRH1ACACBALOX5APFEN1
SCHEMBL17834425	0.90	KIFC1 (0.38)	KIFC1S1PR1S1PR3ALOX5APFEN1
SCHEMBL22384190	0.89	KIFC1 (0.33)	KIFC1S1PR1S1PR3ALOX5APFEN1
SCHEMBL17834924	0.88	S1PR1 (0.36)	KIFC1S1PR1S1PR3HRH2HRH1
SCHEMBL22384412	0.87	KIFC1 (0.35)	KIFC1S1PR1S1PR3RARBMMP2
SCHEMBL17834633	0.87	F2 (0.35)	KIFC1S1PR1ALOX5APFEN1

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-3230276-B1	GLP-1 RECEPTOR MODULATORS	CELGENE INT II SARL (CH)	2020-09-02	—	—	EP	disclosed