SCHEMBL7971900

SCHEMBL7971900

COc1cncc(C2(C#N)CC3CCC(C2)N3)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.38
CHRNA4 P43681 10/20 0.38
KMT2A Q03164 1/20 0.35
CHRNB4 P30926 8/20 0.33
CHRNA3 P32297 8/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL7698935 0.86 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL7230387 0.81 KMT2A (0.40) CHRNB2CHRNA4KMT2ACHRNB4CHRNA3
SCHEMBL16115777 0.80
SCHEMBL17940856 0.80 KDM4E (0.31) CHRNB2CHRNA4
SCHEMBL16135470 0.80 CHRNB4 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL16115008 0.80 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL17507209 0.80 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL16135495 0.80
SCHEMBL7698407 0.80 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B1
SCHEMBL16565778 0.80 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294545-B1 INSECTICIDES SYNGENTA LIMITED (GB) 2001-09-25 US disclosed
EP-1033914-A1 BICYCLIC AMINES AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 2000-09-13 EP disclosed
WO-1999026478-A1 BICYCLIC AMINES AND THEIR USE AS INSECTICIDES ZENECA LIMITED (GB) 1999-06-03 WO disclosed