SCHEMBL17801501

SCHEMBL17801501

[CH2]c1cccc(OC(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.35
PDE10A Q9Y233 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
MAP4K4 O95819 1/20 0.30

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
SCHEMBL17548201 0.77 GRM4 (0.42) MBOAT4PDE10AHCRTR1HCRTR2
SCHEMBL363302 0.75 CYP3A4 (0.38) MBOAT4PDE10AHCRTR1HCRTR2
SCHEMBL17239464 0.75 HTR7 (0.43) MBOAT4PDE10AHCRTR1HCRTR2MAP4K4
SCHEMBL15607558 0.75 MBOAT4 (0.41) MBOAT4PDE10AHCRTR1HCRTR2MAP4K4
SCHEMBL15832227 0.75 CCR1 (0.43) MBOAT4PDE10AHCRTR1HCRTR2
SCHEMBL12093565 0.75 KDR (0.42) MBOAT4PDE10AHCRTR1HCRTR2
SCHEMBL29576132 0.75 HTR7 (0.43) MBOAT4PDE10AHCRTR1HCRTR2MAP4K4
SCHEMBL30052574 0.75 MBOAT4 (0.41) MBOAT4PDE10AHCRTR1HCRTR2MAP4K4
Hydrochloric Acid SCHEMBL15540821 0.73 MBOAT4 (0.40) MBOAT4PDE10AHCRTR1HCRTR2MAP4K4
SCHEMBL17356166 0.72 MBOAT4 (0.36) MBOAT4PDE10AHCRTR1HCRTR2

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-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed