SCHEMBL7229847

SCHEMBL7229847

CC(C#N)N1C2CCC1CC(C#N)(c1cncc(Cl)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.42
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
OPRM1 P35372 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
SCHEMBL7230266 0.90 OPRL1 (0.44) OPRL1SLC6A4SLC6A3OPRM1
SCHEMBL6617335 0.86 OPRL1 (0.41) OPRL1SLC6A4SLC6A3OPRM1
SCHEMBL7229741 0.83 OPRL1 (0.48) OPRL1OPRM1
SCHEMBL7229738 0.83 OPRL1 (0.48) OPRL1OPRM1
SCHEMBL6613896 0.81 OPRL1 (0.37) OPRL1SLC6A4SLC6A3OPRM1
SCHEMBL6573291 0.81 OPRL1 (0.38) OPRL1SLC6A4SLC6A3
SCHEMBL7230196 0.81 OPRL1 (0.38) OPRL1SLC6A4SLC6A3
SCHEMBL6574374 0.81 OPRL1 (0.38) OPRL1SLC6A4SLC6A3
SCHEMBL7228391 0.81 OPRL1 (0.48) OPRL1OPRM1
SCHEMBL6573280 0.81 SLC6A4 (0.37) OPRL1SLC6A4SLC6A3

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 4 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