SCHEMBL2912290

SCHEMBL2912290

COC1c2cc(N)ccc2CCCC1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DRD1 P21728 1/20 0.35
KCNA5 P22460 2/20 0.34
SCN5A Q14524 2/20 0.34
BRD4 O60885 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ATAD2 Q6PL18 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MTNR1B P49286 2/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL2915586 0.76 DRD1 (0.35) CNR1CNR2DRD1BRD4SMN1; SMN2
SCHEMBL2479144 0.76 DRD1 (0.35) CNR1CNR2DRD1BRD4SMN1; SMN2
SCHEMBL521174 0.76 CNR1 (0.48) CNR1CNR2DRD1KCNA5SCN5A
SCHEMBL2908344 0.72 GAA (0.38) CNR1CNR2DRD1SMN1; SMN2RAF1
SCHEMBL27986289 0.71 GAA (0.44) CNR1CNR2DRD1BRD4SMN1; SMN2
SCHEMBL521285 0.68 ALK (0.45) CNR1CNR2HRH3SIGMAR1
SCHEMBL6406991 0.67 MTNR1B (0.47) CNR1CNR2DRD1MAPTMTNR1B
SCHEMBL20522588 0.67 DRD1 (0.43) DRD1DRD2HTR2A
SCHEMBL520119 0.66 HRH3 (0.44) BRD4SMN1; SMN2ATAD2GAAMAPT
SCHEMBL17729306 0.66 IDO1 (0.42) DRD1DRD2HTR2A

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-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed