SCHEMBL9697675

SCHEMBL9697675

N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccccc4C(F)(F)F)CC3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.67
DRD2 P14416 2/20 0.67
HTR2A P28223 2/20 0.67
HTR6 P50406 1/20 0.63
KCNH2 Q12809 1/20 0.63

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
SCHEMBL7961173 0.88 HTR1A (0.70) HTR1ADRD2HTR2AHTR6KCNH2
SCHEMBL7530336 0.88 HTR1A (0.73) HTR1ADRD2HTR2AHTR6KCNH2
Hydrochloric Acid SCHEMBL27447154 0.87 HTR1A (0.71) HTR1ADRD2HTR2AHTR6KCNH2
SCHEMBL9699011 0.86 HTR6 (0.71) HTR1ADRD2HTR2AHTR6KCNH2
SCHEMBL8539217 0.84 KCNH2 (0.73) HTR1ADRD2HTR2AHTR6KCNH2
SCHEMBL7956882 0.84 HTR1A (0.68) HTR1ADRD2HTR2AHTR6KCNH2
SCHEMBL8542180 0.84 HTR1A (0.78) HTR1ADRD2
SCHEMBL8539433 0.83 HTR1A (0.72) HTR1A
SCHEMBL9696723 0.83 HTR1A (0.67) HTR1A
SCHEMBL4416131 0.81 HTR1A (0.79) HTR1A

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-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP disclosed