SCHEMBL8917842

SCHEMBL8917842

c1ccc(CC2COCC(c3cc(C4CCN(CCc5coc6ccccc56)CC4)n[nH]3)O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.48
DRD4 P21917 11/20 0.48
DRD3 P35462 8/20 0.48
HTR1A P08908 4/20 0.38
SIGMAR1 Q99720 2/20 0.38
SLC6A4 P31645 2/20 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
SCHEMBL8545430 0.87 DRD4 (0.49) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL8551090 0.86 DRD2 (0.48) DRD2DRD4DRD3HTR1A
SCHEMBL8917850 0.69 HTR1A (0.40) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8917837 0.67 HTR1A (0.37) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL5564087 0.65 DRD2 (0.50) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL18872185 0.64 HTR1A (0.53) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL6214207 0.63 HTR1A (0.48) DRD2DRD3HTR1ASIGMAR1SLC6A4
SCHEMBL5563918 0.63 HTR1A (0.52) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL5568304 0.63 HTR1A (0.52) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL6214213 0.62 DRD2 (0.50) DRD2DRD3HTR1ASIGMAR1SLC6A4

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