SCHEMBL6913020

SCHEMBL6913020

O=CCc1ccc(F)cc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.49
HTR2A P28223 3/20 0.49
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TSPO P30536 3/20 0.44
CAMK2A Q9UQM7 1/20 0.43
TSHR P16473 1/20 0.41
SLC1A5 Q15758 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
RIPK1 Q13546 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL872937 0.83 HRH1 (0.55) SLC6A4HTR2ALMNAGAAKMT2A
SCHEMBL22186140 0.82 SLC6A4 (0.56) SLC6A4HTR2ATSPOCAMK2AHRH1
SCHEMBL6177244 0.80 TTR (0.47) SLC6A4HTR2ALMNAKMT2ATSPO
SCHEMBL6886594 0.79 CCNB2 (0.47) LMNAGAA
SCHEMBL29531337 0.77 ALDH1A1 (0.44) HTR2AGAAKMT2ATSHR
SCHEMBL4434656 0.77 ALDH1A1 (0.44) HTR2AGAAKMT2ATSHR
SCHEMBL28104159 0.76 LMNA (0.68) SLC6A4HTR2ALMNAGAAKMT2A
SCHEMBL8956364 0.75 CAMK2A (0.54) SLC6A4HTR2ALMNAKMT2ATSPO
SCHEMBL17423620 0.74 MAPK1 (0.40) LMNAKMT2A
SCHEMBL6913018 0.74 LMNA (0.47) SLC6A4HTR2ALMNAGAAKMT2A

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
US-6770463-B2 INSECTICIDES AND ACARICIDES; AROMATIC SUBSTITUTED HALOALKENES BASF AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed