SCHEMBL4752820

SCHEMBL4752820

COc1ccc(C(F)(F)F)cc1N1CC[N]CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.51
HTR6 P50406 6/20 0.48
HTR1A P08908 2/20 0.44
HTR1B P28222 2/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
GAA P10253 1/20 0.43
CACNA1D Q01668 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ERAP1 Q9NZ08 3/20 0.42
ERAP2 Q6P179 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL4751044 0.85 CYP1A2 (0.44) FFAR4HTR6GAAKDM4EALDH1A1
SCHEMBL12969072 0.84 HTR6 (0.58) FFAR4HTR6HTR1AHTR1BHTR1D
SCHEMBL4750831 0.82 FFAR4 (0.40) FFAR4HTR6KDM4EALDH1A1NR1I2
SCHEMBL4754004 0.82 HTR6 (0.66) FFAR4HTR6HTR1DHTR2CALDH1A1
SCHEMBL4753360 0.81 PTGDR2 (0.46) FFAR4KDM4EALDH1A1NR1I2
Hydrochloric Acid SCHEMBL966017 0.81 HTR6 (0.65) FFAR4HTR6HTR1AHTR1DHTR2C
SCHEMBL2204461 0.78 MAPT (0.58) KDM4EALDH1A1TSHRHTR3EHTR3B
SCHEMBL2200058 0.77 HTR3E (0.68) FFAR4HTR6GAAKDM4EALDH1A1
SCHEMBL6979317 0.77 MAPT (0.54) HTR6GAAKDM4EALDH1A1TSHR
SCHEMBL19078400 0.75 FFAR4 (0.58) FFAR4HTR6HTR1AHTR1BHTR1D

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
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed