SCHEMBL5157903

SCHEMBL5157903

O=C1CCCC(=O)N1CC(O)CN1CCN(c2ccccc2OCC(F)(F)C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.48
HTR7 P34969 8/20 0.48
DRD2 P14416 7/20 0.48
ADRA1B P35368 4/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
CACNA1G O43497 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR6 P50406 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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 SCHEMBL6210660 0.91 HTR1A (0.50) HTR1AHTR7DRD2ADRA1BADRA1D
SCHEMBL6234661 0.82 HTR1A (0.67) HTR1AHTR7DRD2ADRA1BHTR6
Hydrochloric Acid SCHEMBL6406987 0.80 ADRA1A (0.66) HTR1AHTR7DRD2ADRA1BADRA1D
SCHEMBL6243936 0.78 ADRA1B (0.54) HTR1AHTR7DRD2ADRA1BADRA1D
Hydrochloric Acid SCHEMBL6209546 0.77 ADRA1B (0.56) HTR1AHTR7DRD2ADRA1BADRA1D
SCHEMBL4526501 0.76 HTR1A (0.47) HTR1AHTR7DRD2ADRA1BADRA1D
SCHEMBL5801052 0.76 ADRA1A (0.48) HTR1AHTR7ADRA1BADRA1DADRA1A
Hydrochloric Acid SCHEMBL4531915 0.75 HTR1A (0.48) HTR1AHTR7DRD2ADRA1BADRA1A
Hydrochloric Acid SCHEMBL5802098 0.75 ADRA1A (0.47) HTR1AHTR7ADRA1BADRA1DADRA1A
SCHEMBL5157991 0.74 ADRA1A (0.62) HTR1AHTR7DRD2ADRA1BADRA1D

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
EP-1746998-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES, LTD. (IN) 2007-01-31 EP claimed
WO-2005092341-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO claimed