SCHEMBL6994236

SCHEMBL6994236

CN1C2CCC1CC(C#N)(c1cc(F)cc(F)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.39
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
SLC6A2 P23975 6/20 0.35
CHRM1 P11229 5/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
DRD3 P35462 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HRH1 P35367 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL7223956 0.84 OPRL1 (0.36) OPRL1SLC6A4SLC6A3SLC6A2ADRA2B
SCHEMBL7986499 0.81 OPRL1 (0.34) OPRL1
SCHEMBL7221965 0.79 OPRL1 (0.43) OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL16591237 0.78 SLC6A3 (0.33) SLC6A4SLC6A3SLC6A2
SCHEMBL19262174 0.78 PDE4A (0.33)
SCHEMBL1843464 0.78 OPRL1 (0.60) OPRL1SLC6A4SLC6A3SLC6A2CHRM1
SCHEMBL7230071 0.75 OPRL1 (0.45) OPRL1SLC6A4SLC6A3SLC6A2CHRM1
SCHEMBL17985230 0.75 EPAS1 (0.33) SLC6A3SLC6A2
SCHEMBL16591186 0.75 EPAS1 (0.33) SLC6A3SLC6A2
SCHEMBL17985231 0.75 EPAS1 (0.33) SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573275-B1 Insecticidal compositions comprising and to methods of combatting and controlling insect pests therewith. SYNGENTA LIMITED (GB) 2003-06-03 US disclosed
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
EP-0828739-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2002-09-11 EP disclosed
US-6391883-B1 INSECTICIDES SYNGENTA LIMITED (GB) 2002-05-21 US disclosed
US-6294545-B1 INSECTICIDES SYNGENTA LIMITED (GB) 2001-09-25 US disclosed
US-6207676-B1 Bicyclic amines ZENECA LIMITED (GB) 2001-03-27 US disclosed
US-6093726-A AN INSECTICIDES, ACARICIDES OR NEMATICIDES ZENECA LIMITED (GB) 2000-07-25 US disclosed
EP-0828739-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1998-03-18 EP disclosed
WO-1996037494-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1996-11-28 WO disclosed