SCHEMBL9875302

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.CCOc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.COc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CYP11B1	P15538	1/20	0.40

▸	CYP11B2	P19099	1/20	0.40

▸	RARB	P10826	4/20	0.37

▸	RARA	P10276	1/20	0.37

▸	CYP2C9	P11712	3/20	0.37

▸	CYP2C19	P33261	3/20	0.37

▸	CYP3A4	P08684	2/20	0.37

▸	CYP2D6	P10635	2/20	0.37

▸	KDM4E	B2RXH2	3/20	0.36

▸	HPGD	P15428	3/20	0.36

▸	MEN1	O00255	2/20	0.36

▸	KMT2A	Q03164	2/20	0.36

▸	NPSR1	Q6W5P4	1/20	0.36

▸	CYP19A1	P11511	2/20	0.36

▸	GRM5	P41594	1/20	0.36

▸	MAOB	P27338	1/20	0.35

▸	MAPT	P10636	1/20	0.35

▸	MGLL	Q99685	4/20	0.35

▸	ALDH1A1	P00352	2/20	0.35

▸	HTT	P42858	1/20	0.35

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
SCHEMBL9766710	0.91	CYP2D6 (0.42)	RARBCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL9155843	0.81	CYP2D6 (0.51)	RARBCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL9160899	0.81	CYP2D6 (0.51)	RARBCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL9159126	0.81	CYP2D6 (0.51)	RARBCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL9152221	0.80	CYP2D6 (0.52)	RARBCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL9159121	0.80	CYP2D6 (0.52)	RARBCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL9154037	0.78	CYP2D6 (0.55)	CYP2C9CYP2C19CYP3A4CYP2D6KDM4E
SCHEMBL9158809	0.78	CYP2D6 (0.55)	CYP2C9CYP2C19CYP3A4CYP2D6KDM4E
SCHEMBL9160694	0.78	CYP2D6 (0.48)	CYP2C9CYP2C19CYP3A4CYP2D6KDM4E
SCHEMBL9160877	0.78	CYP2D6 (0.48)	CYP2C9CYP2C19CYP3A4CYP2D6KDM4E

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-1991004248-A1	PYRIDINE DERIVATIVES	MERCK Patent Gesellschaft mit beschränkter Haftung (DE)	1991-04-04	—	—	WO	disclosed