SCHEMBL8917837

SCHEMBL8917837

c1ccc2c(CCN3CCC(c4cc(-c5ccc6c(c5)CCOO6)[nH]n4)CC3)coc2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.37
SLC6A4 P31645 2/20 0.37
DRD2 P14416 7/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 4/20 0.36
LTA4H P09960 2/20 0.35
HTR2A P28223 2/20 0.32
NTRK1 P04629 1/20 0.32
FLT3 P36888 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32

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
SCHEMBL8545428 0.87 ADRA1D (0.39) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL8917850 0.86 HTR1A (0.40) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL8551088 0.86 HTR2A (0.42) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL8545434 0.72 DRD2 (0.40) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL8546423 0.71 SNCA (0.42) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL8551091 0.71 HTR1A (0.53) HTR1ADRD2HTR2A
SCHEMBL8549889 0.69 SLC6A4 (0.44) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL8549271 0.68 DRD2 (0.42) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL8550715 0.67 HTR1A (0.47) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL8917842 0.67 DRD2 (0.48) HTR1ASLC6A4DRD2DRD4DRD3

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-5668148-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1997-09-16 US disclosed