SCHEMBL5592308

SCHEMBL5592308

O=C1CCCC(=O)N1CCCN1CCC(NS(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
CHRM1 P11229 18/20 0.40
ICAM1 P05362 1/20 0.38
CHRM2 P08172 6/20 0.37
CHRM4 P08173 6/20 0.37
CHRM5 P08912 6/20 0.37
CHRM3 P20309 6/20 0.37
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
Hydrochloric Acid SCHEMBL5592380 0.99 HTR7 (0.40) HTR7CHRM1ICAM1CHRM2CHRM4
SCHEMBL5592133 0.74 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5592379 0.73 HTR7 (0.46) HTR7CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL5599735 0.72 HTR7 (0.45) HTR7CHRM1CHRM2CHRM4CHRM5
SCHEMBL27508560 0.71 HTR7 (0.51) HTR7CHRM1CHRM2CHRM4CHRM5
SCHEMBL5599483 0.71 HTR7 (0.44) HTR7CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL27470920 0.70 HTR7 (0.50) HTR7CHRM1CHRM2CHRM4CHRM5
SCHEMBL13102870 0.69 HTT (0.61) ICAM1DRD4
SCHEMBL13102964 0.68 CNR1 (0.36) ICAM1
SCHEMBL5592381 0.68 CHRM1 (0.44) CHRM1

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
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed