SCHEMBL4333280

SCHEMBL4333280

COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CC2CCN(C(=O)O)CC2)C[C@@H]1OC

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.87
KCNH2 Q12809 7/20 0.87

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
SCHEMBL4342483 1.00 HTR4 (0.87) HTR4KCNH2
SCHEMBL3320941 0.93 HTR4 (0.85) HTR4KCNH2
SCHEMBL3320944 0.93 HTR4 (0.85) HTR4KCNH2
SCHEMBL3320949 0.93 HTR4 (0.85) HTR4KCNH2
SCHEMBL3311961 0.93 HTR4 (1.00) HTR4KCNH2
SCHEMBL3316895 0.93 HTR4 (1.00) HTR4KCNH2
SCHEMBL3316900 0.93 HTR4 (1.00) HTR4KCNH2
SCHEMBL3311951 0.93 HTR4 (1.00) HTR4KCNH2
SCHEMBL3316902 0.93 HTR4 (1.00) HTR4KCNH2
SCHEMBL3311952 0.93 HTR4 (1.00) HTR4KCNH2

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-2137152-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Dong-A Pharm.Co., Ltd. (KR) 2009-12-30 EP disclosed
WO-2008114971-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF DONG-A PHARM. CO., LTD. (KR) 2008-09-25 WO disclosed