SCHEMBL11071304

SCHEMBL11071304

CC(COc1cccc2c1CCC(=O)N2)CN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.62
SCN1A P35498 2/20 0.49
SCN5A Q14524 2/20 0.49
SCN9A Q15858 2/20 0.49
ABCB1 P08183 4/20 0.48
DRD2 P14416 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 1/20 0.46
HTR1A P08908 1/20 0.46
OPRK1 P41145 1/20 0.46
GRIN1 Q05586 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
GRIN2A Q12879 1/20 0.45

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
SCHEMBL11072939 0.89 DRD4 (0.62) DRD4SCN1ASCN5ASCN9AABCB1
SCHEMBL11066967 0.87 SCN1A (0.55) DRD4SCN1ASCN5ASCN9AADRB2
SCHEMBL11070939 0.85 MAOA (0.52) DRD4SCN1ASCN5ASCN9AMAOA
SCHEMBL11073307 0.84 MAOA (0.57) DRD4DRD2MAOAMAOBADRB1
SCHEMBL11065044 0.83 MAOA (0.61) DRD4DRD2MAOAMAOBADRB2
SCHEMBL10572684 0.83 SCN5A (0.54) SCN1ASCN5ASCN9ADRD2ADRB2
Hydrochloric Acid SCHEMBL11067443 0.82 MAOA (0.60) DRD4MAOAMAOBKMT2AMEN1
SCHEMBL11065083 0.82 MAOA (0.65) DRD4MAOAMAOBKMT2AMEN1
SCHEMBL11067861 0.81 DRD4 (0.62) DRD4ABCB1DRD2ADRB2ADRB1
SCHEMBL11071590 0.81 MAOA (0.69) DRD4DRD2MAOAMAOB

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed