SCHEMBL3676145

SCHEMBL3676145

CN1CCN(c2ncc(C(=O)Nc3cccc(Cl)c3)cc2Cl)CC1.NC(=O)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.60
▸ P2RY12 Q9H244 6/20 0.55
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAOB P27338 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ MALT1 Q9UDY8 1/20 0.45
▸ SMO Q99835 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL4258257 0.93 SLC2A1 (0.67) SLC2A1P2RY12ALDH1A1MAPTHPGD
3-Chloroaniline SCHEMBL3676148 0.90 SLC2A1 (0.61) SLC2A1P2RY12ALDH1A1MAPTHPGD
SCHEMBL3677907 0.84 SLC2A1 (0.68) SLC2A1P2RY12ALDH1A1MAOBP4HTM
SCHEMBL3687374 0.84 SLC2A1 (0.68) SLC2A1P2RY12ALDH1A1MAPTHPGD
SCHEMBL13930624 0.83 SLC2A1 (0.67) SLC2A1P2RY12ALDH1A1MAPTMAOB
SCHEMBL31107157 0.83 SLC2A1 (0.67) SLC2A1P2RY12ALDH1A1MAPTMAOB
SCHEMBL13930613 0.81 SLC2A1 (0.62) SLC2A1P2RY12ALDH1A1MAPTHPGD
SCHEMBL31107155 0.81 SLC2A1 (0.62) SLC2A1P2RY12ALDH1A1MAPTHPGD
SCHEMBL3683318 0.81 SLC2A1 (0.65) SLC2A1P2RY12ALDH1A1MAPTHPGD
SCHEMBL4252921 0.81 SLC2A1 (0.67) SLC2A1P2RY12ALDH1A1MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP claimed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO claimed
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
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