SCHEMBL6996745

SCHEMBL6996745

COC=CC1(c2cncc(Cl)c2)CC2CCC(C1)N2CC(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL8151014 0.88 TRPA1 (0.33) TRPA1
SCHEMBL7962920 0.88 TRPA1 (0.33) TRPA1
SCHEMBL7962922 0.88 TRPA1 (0.33) TRPA1
SCHEMBL8156053 0.85 TRPA1 (0.31) TRPA1
SCHEMBL8156050 0.85 TRPA1 (0.31) TRPA1
SCHEMBL7951735 0.84 TRPA1 (0.32) TRPA1
SCHEMBL7000266 0.83 TRPA1 (0.33) TRPA1
SCHEMBL6998802 0.83 TRPA1 (0.33) TRPA1
SCHEMBL8156086 0.83 TRPA1 (0.30) TRPA1
SCHEMBL8156082 0.83 TRPA1 (0.30) TRPA1

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-0946553-B1 8-AZABICYCLO 3.2.1]OCTANE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INSECTICIDES SYNGENTA LTD (GB) 2003-01-29 EP disclosed