SCHEMBL8790255

SCHEMBL8790255

OCCCCNCCCC1CNCCO1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
SLC6A2 P23975 5/20 0.32
SLC6A4 P31645 5/20 0.32
SLC6A3 Q01959 5/20 0.32
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL1259526 0.87 SLC6A2 (0.36) BRD4SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL3995068 0.85 EPHX1 (0.37) BRD4SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL5505238 0.85 EPHX1 (0.37) BRD4SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL26104068 0.85 EPHX1 (0.37) BRD4SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL18531916 0.85 SLC6A2 (0.37) BRD4SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL17131027 0.85 SLC6A2 (0.37) BRD4SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL1260402 0.85 SLC6A2 (0.37) BRD4SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL1413740 0.84 EPHX1 (0.43) BRD4SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL27833854 0.83 SLC6A2 (0.38) BRD4SLC6A2SLC6A4SLC6A3ADRB2
SCHEMBL10941630 0.83 CASP2 (0.38) BRD4SLC6A2SLC6A4SLC6A3ADRB2

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
EP-0802902-A1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF OSTEOPOROSIS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed