SCHEMBL11311571

SCHEMBL11311571

O=C(O)C1(c2ccc3ccccc3c2)CC(F)(F)C1(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.39
SLC6A4 P31645 6/20 0.39
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PTPN1 P18031 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL11311493 0.89 SLC6A3 (0.42) SLC6A3SLC6A4MAPTNPC1RAB9A
SCHEMBL11311539 0.80 OPRM1 (0.53) SLC6A3SLC6A4KMT2AMEN1SLC6A2
SCHEMBL31687570 0.80 KMT2A (0.44) SLC6A3SLC6A4MAPTNPC1RAB9A
SCHEMBL11308078 0.80 KMT2A (0.44) SLC6A3SLC6A4MAPTNPC1RAB9A
SCHEMBL14125442 0.78 MAPT (0.39) SLC6A3SLC6A4MAPTNPC1RAB9A
SCHEMBL14125443 0.78 MAPT (0.39) SLC6A3SLC6A4MAPTNPC1RAB9A
SCHEMBL10545643 0.75 ALDH1A1 (0.45) SLC6A3SLC6A4MAPTNPC1RAB9A
SCHEMBL10543614 0.75 ALDH1A1 (0.45) SLC6A3SLC6A4MAPTNPC1RAB9A
SCHEMBL10543020 0.75 ALDH1A1 (0.45) SLC6A3SLC6A4MAPTNPC1RAB9A
SCHEMBL11303198 0.75 MMP1 (0.42) SLC6A3

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-4277490-A Insecticidal 1-(2-naphthyl)-cyclobutane carboxylate COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1981-07-07 US disclosed