SCHEMBL7223397

SCHEMBL7223397

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.36
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP11B2 P19099 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
SCHEMBL16139986 0.85 OPRL1 (0.36) OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL7228554 0.84 CHRNB2 (0.43) OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL7498360 0.84 CYP11B1 (0.36) OPRL1SLC6A2SLC6A4SLC6A3CYP11B2
SCHEMBL6617335 0.84 OPRL1 (0.41) OPRL1SLC6A2SLC6A4SLC6A3CYP11B2
SCHEMBL7222900 0.84 OPRL1 (0.36) OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL7223956 0.84 OPRL1 (0.36) OPRL1SLC6A2SLC6A4SLC6A3CYP11B2
SCHEMBL7223737 0.84 OPRL1 (0.36) OPRL1SLC6A2SLC6A4SLC6A3CYP11B2
SCHEMBL7230387 0.82 KMT2A (0.40) OPRL1CYP11B2
SCHEMBL7229415 0.82 CHRNA3 (0.40) OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL16139989 0.82 CHRNA3 (0.40) OPRL1SLC6A2SLC6A4SLC6A3

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