SCHEMBL8917850

SCHEMBL8917850

c1ccc2c(CCN3CCC(c4cc(-c5ccc6c(c5)OCCO6)[nH]n4)CC3)coc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.40
SLC6A4 P31645 2/20 0.40
DRD2 P14416 7/20 0.39
DRD3 P35462 3/20 0.39
DRD4 P21917 3/20 0.39
HTR2A P28223 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NR0B1 P51843 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL8917837 0.86 HTR1A (0.37) HTR1ASLC6A4DRD2DRD3DRD4
SCHEMBL8545434 0.86 DRD2 (0.40) HTR1ASLC6A4DRD2DRD3DRD4
SCHEMBL8551091 0.84 HTR1A (0.53) HTR1ADRD2HTR2AMEN1NPC1
SCHEMBL8546423 0.81 SNCA (0.42) HTR1ASLC6A4DRD2DRD3DRD4
SCHEMBL8549889 0.72 SLC6A4 (0.44) HTR1ASLC6A4DRD2DRD3DRD4
SCHEMBL8545428 0.72 ADRA1D (0.39) HTR1ASLC6A4DRD2DRD3DRD4
SCHEMBL8551088 0.71 HTR2A (0.42) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL8549271 0.70 DRD2 (0.42) HTR1ASLC6A4DRD2DRD3DRD4
SCHEMBL8917842 0.69 DRD2 (0.48) HTR1ASLC6A4DRD2DRD3DRD4
SCHEMBL8547895 0.69 SLC6A4 (0.45) HTR1ASLC6A4DRD2DRD3DRD4

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