SCHEMBL4789478

CC1CC(c2cncnc2)=CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1CC(c2cncnc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.O=C(c1cc2ncc(Br)cn2n1)N1CC=C(c2ccncn2)CC1.O=C(c1cc2ncc(Br)cn2n1)N1CC=C(c2cncnc2)CC1.O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2ccncn2)CC1.O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cncnc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GRM5	P41594	17/20	0.42

▸	ALDH1A1	P00352	1/20	0.40

▸	GAA	P10253	1/20	0.40

▸	MAPT	P10636	1/20	0.40

▸	TDP1	Q9NUW8	1/20	0.40

▸	HPGD	P15428	1/20	0.39

▸	TSHR	P16473	1/20	0.39

▸	ESR2	Q92731	1/20	0.39

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
SCHEMBL4790396	0.83	GRM5 (0.40)	GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4790460	0.83	ALDH1A1 (0.46)	GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4757826	0.83	GRM5 (0.56)	GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4790466	0.83	ALDH1A1 (0.48)	GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4758354	0.83	GRM5 (0.52)	GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4790040	0.83	GRM5 (0.42)	GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4758742	0.80	GRM5 (0.43)	GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4790430	0.80	ALDH1A1 (0.59)	GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4788628	0.80	GRM5 (0.55)	GRM5ALDH1A1GAAMAPTTDP1
SCHEMBL4789179	0.80	GRM5 (0.43)	GRM5ALDH1A1GAAMAPTTDP1

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
WO-2008015271-A1	PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE	MERZ PHARMA GMBH & CO. KGAA (DE)	2008-02-07	—	—	WO	claimed