SCHEMBL8828496

SCHEMBL8828496

CCCNN1CCN(c2cc(F)ccc2OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
MAPK1 P28482 1/20 0.43
DRD3 P35462 1/20 0.42
HTR6 P50406 4/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC2A1 P11166 2/20 0.41
SLC2A3 P11169 2/20 0.41
HTR1A P08908 3/20 0.41
GFER P55789 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
SLC2A2 P11168 1/20 0.40

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
SCHEMBL8828418 0.90 DRD2 (0.47) DRD2MAPK1DRD3TSHRMEN1
SCHEMBL8828555 0.84 HTR3E (0.57) DRD2ALDH1A1HTR1A
SCHEMBL8828510 0.83 DRD2 (0.62) DRD2MAPK1DRD3HTR6ALDH1A1
SCHEMBL8828413 0.78 ALDH1A1 (0.39) MAPK1DRD3TSHRMEN1KMT2A
SCHEMBL8828459 0.77 DRD2 (0.42) DRD2DRD3ALDH1A1SMN1; SMN2HTR1A
SCHEMBL28272519 0.76 DRD2 (0.64) DRD2DRD3HTR6HTR1A
SCHEMBL1267184 0.74 HTR3E (0.45) DRD2MAPK1DRD3HTR6TSHR
SCHEMBL8828657 0.74 ALDH1A1 (0.49) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8828439 0.74 POLB (0.45) MAPK1DRD3TSHRMEN1KMT2A
SCHEMBL23102075 0.73 POLB (0.50) DRD2MAPK1DRD3HTR6TSHR

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