SCHEMBL16952870

SCHEMBL16952870

C=[C]c1cccc(C2CC2)c1OC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ HTR2C P28335 2/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL16961399 0.79 HTR1A (0.34) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL16957749 0.79 HTR2C (0.37) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL16961400 0.76 HTR1A (0.42) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL16959627 0.76 HTR2C (0.37) HTR2C
SCHEMBL16955208 0.75 TRPV1 (0.37) SLC6A4
SCHEMBL16955135 0.75 SLC6A4 (0.33) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL16956881 0.75 DDB1 (0.34) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL16952872 0.75 HTR1A (0.32) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL16955640 0.75 FFAR1 (0.34) —
SCHEMBL16954298 0.75 — —

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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