SCHEMBL5493040

SCHEMBL5493040

O=C(CCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1)CN1CCc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.67
ADRA1B P35368 1/20 0.67
DRD2 P14416 4/20 0.54
HTR1A P08908 4/20 0.54
SLC6A4 P31645 4/20 0.54
HTR2A P28223 3/20 0.54
HTR7 P34969 3/20 0.54
HTR6 P50406 3/20 0.54
HTR1D P28221 6/20 0.53
HTR1B P28222 5/20 0.53
CHRM2 P08172 1/20 0.53

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
SCHEMBL5396886 0.90 ADRA1D (0.82) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5394770 0.88 ADRA1D (0.64) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5401439 0.87 ADRA1D (0.63) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5388158 0.85 ADRA1D (0.65) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5405240 0.83 ADRA1D (0.61) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5385305 0.81 DRD2 (0.65) ADRA1DDRD2HTR1ASLC6A4HTR2A
SCHEMBL5500881 0.81 ADRA1D (0.49) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5389529 0.80 HTR1D (0.66) ADRA1DDRD2HTR1ASLC6A4HTR2A
Hydrochloric Acid SCHEMBL7256500 0.80 ADRA1D (0.98) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5388941 0.79 DRD2 (0.53) ADRA1DADRA1BDRD2HTR1ASLC6A4

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-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 EP claimed