SCHEMBL3405358

SCHEMBL3405358

COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)CCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.56
KCNH2 Q12809 3/20 0.56
DRD3 P35462 3/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADRA2B P18089 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2B P41595 1/20 0.53
KMT2A Q03164 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52

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
SCHEMBL1502259 1.00 HTR4 (0.56) HTR4KCNH2DRD3MEN1LMNA
SCHEMBL3404390 1.00 HTR4 (0.56) HTR4KCNH2DRD3MEN1LMNA
SCHEMBL8002090 0.95 HTR4 (0.55) HTR4KCNH2DRD3DRD2DRD4
SCHEMBL3402350 0.93 KCNH2 (0.63) HTR4KCNH2DRD3MEN1LMNA
SCHEMBL1502106 0.93 KCNH2 (0.63) HTR4KCNH2DRD3MEN1LMNA
SCHEMBL3408390 0.93 KCNH2 (0.63) HTR4KCNH2DRD3MEN1LMNA
SCHEMBL1502057 0.92 KCNH2 (0.51) HTR4KCNH2DRD3MEN1LMNA
SCHEMBL1501959 0.91 KCNH2 (0.56) HTR4KCNH2DRD3MEN1LMNA
SCHEMBL1502007 0.91 HTR4 (0.58) HTR4KCNH2DRD3MEN1LMNA
SCHEMBL1502296 0.90 KCNH2 (0.53) HTR4KCNH2DRD3MEN1LMNA

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-2256114-B1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2014-06-25 EP disclosed
EP-2256114-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-01 EP disclosed