SCHEMBL8075560

SCHEMBL8075560

CN1CCN(c2cccc3c2CC(NC(=O)c2ccccc2N2CCOCC2)CO3)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.61
SCN9A Q15858 6/20 0.61
SCN5A Q14524 5/20 0.61
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
HTR3A P46098 1/20 0.42
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4842018 0.87 KCNH2 (0.70) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4838319 0.87 KCNH2 (0.70) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4838340 0.87 KCNH2 (0.70) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4839223 0.84 KCNH2 (0.55) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4839237 0.84 KCNH2 (0.55) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL27542741 0.84 KCNH2 (0.68) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4837929 0.84 KCNH2 (0.68) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL8080619 0.82 SCN9A (0.73) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL8077356 0.82 KCNH2 (0.57) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL7482232 0.81 DRD4 (0.48) KCNH2SCN9ASCN5ADRD2HTR2A

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-1025095-A1 SUBSTITUTED CHROMAN DERIVATIVES AstraZeneca AB (SE) 2000-08-09 EP disclosed
WO-1999014212-A1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 1999-03-25 WO disclosed