SCHEMBL10630922

SCHEMBL10630922

CCCCCNc1c(C(F)(F)F)cnn1CCCCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.36
▸ CNR2 P34972 2/20 0.34
▸ ASAH1 Q13510 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ ALPI P09923 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ AR P10275 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL10625838 0.76 TLR8 (0.41) CNR2CNR1TLR8
SCHEMBL10551830 0.72 L3MBTL1 (0.43) ADRA2ACNR2CNR1
SCHEMBL31319669 0.66 TLR8 (0.40) TLR8
SCHEMBL9533927 0.65 CYP1A2 (0.41) ADRA2ASLC2A1
SCHEMBL7081096 0.65 JAK3 (0.44) ADRA2ASLC2A1
SCHEMBL14959689 0.64 TLR8 (0.36) TLR8
SCHEMBL6236117 0.63 EPHX2 (0.50) CNR2CNR1PDE3BPDE3ATLR8
SCHEMBL10772470 0.62 ALDH1A1 (0.39) CNR2CNR1
SCHEMBL5399963 0.62 JAK2 (0.35) TLR8
SCHEMBL8997373 0.62 POLB (0.39) SLC2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4774254-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1988-09-27 — — US disclosed
EP-0243636-A1 1-Aryl-4-trifluoromethyl-5-amino pyrazoles as pesticides BAYER AG (DE) 1987-11-04 — — EP disclosed
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