SCHEMBL8077356

SCHEMBL8077356

CN1CCN(c2cccc3c2CC(NC(=O)c2ccccc2N2CCN(CCOCc4ccccc4)CC2)CO3)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.57
SCN9A Q15858 6/20 0.57
SCN5A Q14524 5/20 0.55
DRD2 P14416 12/20 0.42
DRD3 P35462 12/20 0.42
DRD4 P21917 9/20 0.42
HTR2A P28223 3/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
P2RX7 Q99572 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
SCHEMBL4839583 0.90 KCNH2 (0.64) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4839594 0.90 KCNH2 (0.64) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL8075560 0.82 KCNH2 (0.61) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4840083 0.78 KCNH2 (0.64) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4840071 0.78 KCNH2 (0.64) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL8080619 0.76 SCN9A (0.73) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4840362 0.76 KCNH2 (0.62) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4840371 0.76 KCNH2 (0.62) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4842124 0.75 KCNH2 (0.67) KCNH2SCN9ASCN5ADRD2DRD3
SCHEMBL4842109 0.75 KCNH2 (0.67) KCNH2SCN9ASCN5ADRD2DRD3

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