SCHEMBL7224072

SCHEMBL7224072

N#CC1(c2cccnc2)CC2CCC(C1)N2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.43
CHRNA4 P43681 5/20 0.43
CHRNA3 P32297 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HSD11B1 P28845 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.34
CYP11B2 P19099 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL22629246 0.80 HSD11B1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22629830 0.80 HSD11B1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20558279 0.77 HSD11B1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7230273 0.77 OPRL1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7231061 0.77 CHRNA3 (0.46) CHRNB2CHRNA4CHRNA3CYP11B2
SCHEMBL7228481 0.75 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3ALDH1A1TDP1
SCHEMBL16135495 0.75
SCHEMBL17507209 0.75 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA3CYP11B2
SCHEMBL16115008 0.75 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA3CYP11B2
SCHEMBL16565778 0.75 KDM4E (0.31) CHRNB2CHRNA4

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 6 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-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-6207676-B1 Bicyclic amines ZENECA LIMITED (GB) 2001-03-27 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