SCHEMBL7230532

SCHEMBL7230532

CN1C2CCC1CC(C#N)(c1ccc(Cl)nc1)C2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
OPRL1 P41146 1/20 0.43
OPRM1 P35372 2/20 0.37

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
SCHEMBL7229138 0.80 OPRL1 (0.43) CHRNB2CHRNA4OPRL1OPRM1
SCHEMBL7223279 0.80 OPRL1 (0.43) CHRNB2CHRNA4OPRL1OPRM1
SCHEMBL7221965 0.79 OPRL1 (0.43) OPRL1OPRM1
SCHEMBL8208443 0.79 SLC6A2 (0.48) CHRNB2CHRNA4OPRL1OPRM1
SCHEMBL7228481 0.78 CHRNB2 (0.44) CHRNB2CHRNA4
SCHEMBL6992756 0.77 CHRNB2 (0.45) CHRNB2CHRNA4OPRL1OPRM1
SCHEMBL7230066 0.77 OPRL1 (0.39) CHRNB2CHRNA4OPRL1OPRM1
SCHEMBL7230273 0.77 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL350982 0.76 OPRM1 (0.42) OPRM1
SCHEMBL29574467 0.76 OPRM1 (0.42) OPRM1

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