SCHEMBL8828600

SCHEMBL8828600

CCCNN1CCN(c2ccccc2OC(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 8/20 0.54
ADRA1D P25100 7/20 0.54
ADRA1B P35368 7/20 0.54
HTR1A P08908 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
SCHEMBL8828530 0.88 DRD2 (0.44) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL8828510 0.85 DRD2 (0.62) ADRA1AADRA1DADRA1BHTR1A
SCHEMBL8828472 0.83 ALDH1A1 (0.58)
SCHEMBL8828782 0.80 DRD2 (0.44) HTR1A
SCHEMBL8828612 0.79 GAA (0.45) HTR1A
SCHEMBL8828437 0.79 HTR1A (0.41) HTR1A
SCHEMBL8828661 0.78 DRD2 (0.45) ADRA1AADRA1DADRA1B
SCHEMBL8828451 0.77 DRD2 (0.45) HTR1A
SCHEMBL8828572 0.77 ADRB1 (0.49) ADRA1AADRA1DADRA1B
SCHEMBL28272519 0.77 DRD2 (0.64) ADRA1AHTR1A

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