SCHEMBL8534994

SCHEMBL8534994

COc1ccc(CN2C(=O)CCC2Cn2cc(C(=O)c3ccc(OC)cc3)c3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 3/20 0.52
CHRM1 P11229 1/20 0.51
AHR P35869 1/20 0.49
CNR2 P34972 4/20 0.49
CNR1 P21554 3/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL9301629 0.80 CNR1 (0.59) CNR2CNR1
SCHEMBL10650580 0.73 MAPT (0.57) POLBSMN1; SMN2CNR2CNR1MAPT
SCHEMBL6449877 0.73 HCRTR2 (0.53) MAPTALDH1A1
SCHEMBL7504824 0.73 HCRTR2 (0.53) MAPTALDH1A1
SCHEMBL3677750 0.73 HCRTR2 (0.53) MAPTALDH1A1
SCHEMBL9303271 0.72 MAPT (0.52) CNR2CNR1MAPT
SCHEMBL9302976 0.72 CNR1 (0.54) CNR2CNR1MAPT
SCHEMBL27034080 0.71 CNR2 (0.69) CNR2CNR1
SCHEMBL15478844 0.71 CNR2 (0.59) CNR2CNR1MAPT
SCHEMBL15478842 0.71 CNR2 (0.75) CNR2CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817651-A ANALGESICS, RHEUMATIC DISEASES, ANTIINFLAMMATORY AGENTS SANOFI (FR) 1998-10-06 US disclosed
US-5068234-A Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma STERLING DRUG INC. (US) 1991-11-26 US disclosed
EP-0444451-A2 3-Arylcarbonyl-1H-indoles useful as therapeutic agents STERLING WINTHROP INC. (US) 1991-09-04 EP disclosed