SCHEMBL3405316

SCHEMBL3405316

CCOc1cc(N)c(Cl)cc1C(=O)NCCC1CN(CC2CCN(C(=O)c3ccccc3OC(C)=O)CC2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.54
DRD3 P35462 3/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2C9 P11712 1/20 0.54
ADRA2B P18089 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR2B P41595 1/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
HTR4 Q13639 9/20 0.44
ACHE P22303 1/20 0.44
DRD2 P14416 3/20 0.41

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
SCHEMBL1502190 0.93 KCNH2 (0.63) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1501953 0.86 DRD3 (0.54) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1502145 0.83 KCNH2 (0.65) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL7371801 0.81 DRD3 (0.72) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1502107 0.80 KCNH2 (0.65) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1501885 0.80 KCNH2 (0.66) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1502054 0.80 KCNH2 (0.66) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1502298 0.80 KCNH2 (0.64) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1502302 0.80 KCNH2 (0.64) KCNH2DRD3MEN1LMNACYP1A2
SCHEMBL1501978 0.80 KCNH2 (0.68) KCNH2DRD3MEN1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256114-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-01 EP claimed