SCHEMBL8828619

SCHEMBL8828619

CCC(O)N1CCN(c2cc(Cl)ccc2OC)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
ALDH1A1 P00352 1/20 0.50
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TACR3 P29371 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRA1D P25100 4/20 0.43
ADRA1A P35348 4/20 0.43
ADRA1B P35368 4/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL8828439 0.84 POLB (0.45) ALDH1A1DRD4LMNAPOLB
SCHEMBL6506614 0.81 DRD2 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9017199 0.79 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4336114 0.77 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7549051 0.77 DRD2 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9017194 0.77 RECQL (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3777366 0.77 KDM4E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22892259 0.76 LMNA (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8828715 0.76 HTR1A (0.48) ALDH1A1DRD2DRD4LMNAPOLB
SCHEMBL5240537 0.74 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C

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-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed