SCHEMBL5008733

SCHEMBL5008733

CCc1cccc2cc[nH]c12.N#CCOc1cccc2cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.45
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4209359 0.89 BCHE (0.44) BCHEHTR1AHTR1DHTR1BF2RL3
SCHEMBL593512 0.80 AHR (0.50) BCHE
Methane SCHEMBL27929614 0.78 AHR (0.48) BCHE
SCHEMBL593890 0.75 BCHE (0.54) BCHE
SCHEMBL10192222 0.73 L3MBTL1 (0.55)
SCHEMBL2261191 0.73 AHR (0.47)
SCHEMBL859924 0.72 BCHE (0.51) BCHEHTR1AHTR1DHTR1B
SCHEMBL10746849 0.72 REN (0.47) BCHERAB9A
SCHEMBL837183 0.71 BCHE (0.50) BCHEHTR1DHTR1B
SCHEMBL8306159 0.69 AHR (0.43) HTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1978805-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-10-15 EP disclosed
WO-2007085660-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-08-02 WO disclosed