SCHEMBL9485683

SCHEMBL9485683

CN1CCC(C2(O)c3ccccc3Cc3sccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.66
MAPK1 P28482 1/20 0.66
DRD2 P14416 3/20 0.43
DRD1 P21728 3/20 0.43
DRD3 P35462 3/20 0.43
DRD4 P21917 2/20 0.43
DRD5 P21918 2/20 0.43
CHRM2 P08172 5/20 0.36
CHRM1 P11229 5/20 0.36
CHRM4 P08173 4/20 0.36
CHRM5 P08912 4/20 0.36
CHRM3 P20309 4/20 0.36
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL13921299 0.86 MAPK1 (0.82) L3MBTL1SMN1; SMN2MAPK1DRD2DRD1
SCHEMBL11675386 0.81 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2MAPK1CHRM2CHRM1
SCHEMBL11484395 0.80 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2MAPK1DRD2DRD1
SCHEMBL11484415 0.77 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2MAPK1
SCHEMBL9444141 0.76 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2MAPK1CHRM2CHRM1
SCHEMBL9631976 0.75 MAPK1 (0.73) L3MBTL1SMN1; SMN2MAPK1CHRM2CHRM1
SCHEMBL9444177 0.75 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2MAPK1DRD2DRD1
SCHEMBL7295187 0.75 L3MBTL1 (0.70) L3MBTL1SMN1; SMN2MAPK1DRD2DRD1
Hydrochloric Acid SCHEMBL9444156 0.74 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2MAPK1DRD2DRD1
SCHEMBL11487481 0.74 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2MAPK1DRD2DRD4

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-5260319-A Analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-09 US disclosed
EP-0435223-A2 Thienobenzoxepin- and naphthothiophene-derivatives, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-07-03 EP disclosed
US-5006536-A Thienobenzoxepins and analgesic compositions thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-04-09 US disclosed