SCHEMBL9301137

SCHEMBL9301137

COc1ccc(C(=O)c2cn(CCC3CCCN3C)c3ccc(F)cc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
CNR1 P21554 3/20 0.50
POLB P06746 1/20 0.46
THRB P10828 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
PLK1 P53350 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL9303271 0.87 MAPT (0.52) CNR2CNR1
SCHEMBL9302976 0.84 CNR1 (0.54) CNR2CNR1
SCHEMBL9300969 0.82 CNR1 (0.48) CNR2CNR1PLK1
Hydrochloric Acid SCHEMBL8535050 0.80 CNR1 (0.47) CNR2CNR1PLK1
Hydrochloric Acid SCHEMBL8535046 0.80 CNR1 (0.47) CNR2CNR1PLK1
SCHEMBL9301629 0.79 CNR1 (0.59) CNR2CNR1
SCHEMBL9690665 0.77 CNR2 (0.73) CNR2CNR1THRB
SCHEMBL9303207 0.71 CNR1 (0.63) CNR1
SCHEMBL14548881 0.68 ADRA2A (0.58)
SCHEMBL18500520 0.68 ADRA2A (0.58)

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