SCHEMBL9303271

SCHEMBL9303271

COc1ccc(C(=O)c2cn(CCC3CCCN3C)c3ccccc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
DRD1 P21728 1/20 0.50
HRH2 P25021 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL9302976 0.97 CNR1 (0.54) MAPTCNR1CNR2DRD1HRH2
SCHEMBL9301629 0.92 CNR1 (0.59) CNR1CNR2
SCHEMBL9301137 0.87 CNR2 (0.52) CNR1CNR2
SCHEMBL9303207 0.81 CNR1 (0.63) CNR1DRD1HRH2HTR2AHTR2C
SCHEMBL2049777 0.81 MEN1 (0.60) CNR1CNR2
SCHEMBL10650580 0.80 MAPT (0.57) MAPTCNR1CNR2
SCHEMBL2033984 0.79 CNR1 (0.63) CNR1CNR2
SCHEMBL2076737 0.79 CNR2 (0.78) CNR1CNR2
SCHEMBL27034080 0.78 CNR2 (0.69) CNR1CNR2
SCHEMBL15478842 0.77 CNR2 (0.75) CNR1CNR2

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
US-5324737-A Analgesics, antirheumatic and antiinflammatory agents, glaucoma STERLING WINTHROP INC. (US) 1994-06-28 US claimed