SCHEMBL9689277

SCHEMBL9689277

NCCN1C(=O)CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.62
POLB P06746 1/20 0.61
DRD2 P14416 12/20 0.57
DRD4 P21917 12/20 0.57
DRD3 P35462 12/20 0.57
CHRM2 P08172 9/20 0.57
CHRM4 P08173 9/20 0.57
CHRM5 P08912 9/20 0.57
CHRM1 P11229 9/20 0.57
CHRM3 P20309 9/20 0.57
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
GRIN1 Q05586 2/20 0.50
GRIN2B Q13224 2/20 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
SCHEMBL11292859 0.90 HTR2A (0.78) HTR2APOLBDRD2DRD4DRD3
SCHEMBL1309037 0.87 HTR2A (0.69) HTR2APOLBDRD2DRD4DRD3
SCHEMBL8248673 0.87 HTR2A (0.79) HTR2APOLBDRD2DRD4DRD3
SCHEMBL4656369 0.84 HTR7 (0.57) HTR2ADRD2DRD4DRD3
SCHEMBL14277003 0.83 POLB (0.61) POLBDRD2DRD4DRD3CHRM2
SCHEMBL17979351 0.83 DRD2 (0.69) POLBDRD2DRD4DRD3CHRM2
SCHEMBL30483504 0.83 DRD2 (0.69) POLBDRD2DRD4DRD3CHRM2
SCHEMBL5385733 0.83 POLB (0.66) POLBDRD2DRD4DRD3CHRM2
SCHEMBL17969134 0.80 POLB (0.67) HTR2APOLBDRD2DRD4DRD3
SCHEMBL5661091 0.80 CHRM2 (0.67) POLBDRD2DRD4DRD3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 US disclosed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 US disclosed