SCHEMBL725907

SCHEMBL725907

COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnc2C)CC1.Cc1nccn1CCCCl

nearest known ligand 0.95

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.95
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55

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
SCHEMBL726606 0.98 HTR4 (1.00) HTR4DRD2DRD4DRD3
SCHEMBL725807 0.83 HTR4 (1.00) HTR4DRD2DRD4DRD3
Da-6886 SCHEMBL726214 0.82 HTR4 (1.00) HTR4DRD2DRD4DRD3
SCHEMBL506210 0.82 HTR4 (0.78) HTR4DRD2DRD4DRD3
SCHEMBL7389964 0.82 HTR4 (0.78) HTR4DRD2DRD4DRD3
SCHEMBL725841 0.82 HTR4 (0.94) HTR4DRD2DRD4DRD3
Da-6886 SCHEMBL725324 0.82 HTR4 (0.98) HTR4DRD2DRD4DRD3
SCHEMBL7389801 0.81 HTR4 (0.77) HTR4DRD2DRD4DRD3
SCHEMBL9021817 0.81 HTR4 (0.76) HTR4DRD2DRD4DRD3
SCHEMBL7385451 0.81 HTR4 (0.76) HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560955-B1 NOVEL BENZAMIDE DERIVATIVES DONG A PHARM CO LTD (KR) 2016-06-29 EP disclosed
EP-2560955-A2 NOVEL BENZAMIDE DERIVATIVES Dong-A Pharm.Co., Ltd. (KR) 2013-02-27 EP disclosed
WO-2011132901-A2 NOVEL BENZAMIDE DERIVATIVES DONG-A PHARM.CO., LTD. (KR) 2011-10-27 WO disclosed