SCHEMBL16103547

SCHEMBL16103547

CN(CCN(C)C(=O)OC(C)(C)C)Cc1nn([C@H]2CCCCO2)c2ccc(Oc3ccc(N)cc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.36
▸ SLC6A4 P31645 6/20 0.36
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ BACE1 P56817 3/20 0.31
▸ PDE4A P27815 2/20 0.30
▸ PDE4B Q07343 2/20 0.30
▸ PDE4C Q08493 2/20 0.30
▸ PDE4D Q08499 2/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16103548 1.00 HTR2C (0.36) HTR2CSLC6A4NPC1ALDH1A1RAB9A
SCHEMBL16103085 0.93 HTR2C (0.39) HTR2CSLC6A4HTR2ABACE1
SCHEMBL16103527 0.93 HTR2C (0.39) HTR2CSLC6A4HTR2ABACE1
SCHEMBL16099464 0.90 MEN1 (0.35) HTR2CSLC6A4ALDH1A1RAB9AHTR2A
SCHEMBL16099465 0.90 MEN1 (0.35) HTR2CSLC6A4ALDH1A1RAB9AHTR2A
SCHEMBL16120043 0.89 HTR2C (0.41) HTR2CSLC6A4ALDH1A1HTR2A
SCHEMBL16125892 0.87 HTR2C (0.39) HTR2CSLC6A4ALDH1A1HTR2APDE4A
SCHEMBL17465771 0.87 HTR2C (0.39) HTR2CSLC6A4HTR2A
SCHEMBL16120040 0.87 HTR2C (0.38) HTR2CSLC6A4NPC1RAB9AHTR2A
SCHEMBL16120067 0.86 HTR2C (0.38) HTR2CSLC6A4ALDH1A1HTR2A

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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