SCHEMBL7228554

SCHEMBL7228554

CN1C2CCC1CC(C#N)(c1cncc(I)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
OPRL1 P41146 1/20 0.36
OPRM1 P35372 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL16139986 0.85 OPRL1 (0.36) CHRNB2CHRNA4OPRL1OPRM1SLC6A2
SCHEMBL7223737 0.84 OPRL1 (0.36) CHRNB2CHRNA4OPRL1OPRM1SLC6A2
SCHEMBL7498360 0.84 CYP11B1 (0.36) CHRNB2CHRNA4OPRL1SLC6A2SLC6A4
SCHEMBL6617335 0.84 OPRL1 (0.41) CHRNB2CHRNA4OPRL1OPRM1SLC6A2
SCHEMBL7223397 0.84 OPRL1 (0.36) OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL7223956 0.84 OPRL1 (0.36) OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL7222900 0.84 OPRL1 (0.36) CHRNB2CHRNA4OPRL1SLC6A2SLC6A4
SCHEMBL16565774 0.83 CHRNB2 (0.38) CHRNB2CHRNA4OPRL1
SCHEMBL17940851 0.83 CHRNB2 (0.38) CHRNB2CHRNA4OPRL1
SCHEMBL17940888 0.82 NPSR1 (0.35) CHRNB2CHRNA4OPRL1

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