SCHEMBL16102945

SCHEMBL16102945

[CH2]CNCCc1n[nH]c2ccc(OC3CCN(C(C)=O)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ LRRK2 Q5S007 5/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ MAPT P10636 1/20 0.37

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16102946 0.83 CYP4F2 (0.43) CYP4F2CYP4A11LRRK2GSK3BDYRK1A
SCHEMBL16100512 0.80 CYP4F2 (0.40) CYP4F2CYP4A11LRRK2GSK3BDYRK1A
SCHEMBL16100520 0.77 CYP4F2 (0.41) CYP4F2CYP4A11LRRK2GSK3BDYRK1A
SCHEMBL16120051 0.73 CYP4F2 (0.38) CYP4F2CYP4A11LRRK2GSK3BDYRK1A
SCHEMBL5418828 0.69 ROCK2 (0.58) CYP4F2CYP4A11CHEK2HRH3NAMPT
SCHEMBL17469481 0.69 F10 (0.45) CYP4F2CYP4A11LRRK2GSK3BCHEK2
SCHEMBL9119612 0.68 MTNR1A (0.65) —
SCHEMBL9121362 0.68 MTNR1A (0.61) HRH3CYP3A4
SCHEMBL2094409 0.67 HRH3 (0.49) CYP4F2CYP4A11CHEK2HRH3NAMPT
SCHEMBL5404376 0.66 ROCK2 (0.54) CYP4F2CYP4A11CHEK2HRH3CYP3A4

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970220-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO disclosed
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