SCHEMBL7223489

SCHEMBL7223489

CCCCCCN1C2CCC1CC(C#N)(c1cncc(Cl)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
HTR1A P08908 8/20 0.33
DRD2 P14416 8/20 0.33
HRH1 P35367 8/20 0.33
DRD3 P35462 8/20 0.33
HTR2A P28223 6/20 0.33
SLC6A4 P31645 5/20 0.33
HTR7 P34969 5/20 0.33
HTR2B P41595 5/20 0.33
SLC6A3 Q01959 4/20 0.33
TMEM97 Q5BJF2 4/20 0.33
SIGMAR1 Q99720 4/20 0.33
HTR2C P28335 3/20 0.33
OPRL1 P41146 1/20 0.33
DRD4 P21917 1/20 0.31
SLC6A2 P23975 3/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL7221392 0.84 OPRL1 (0.37) OPRL1
SCHEMBL16135471 0.83 OPRL1 (0.33) HTR1ADRD2HRH1DRD3HTR2A
SCHEMBL16115574 0.83 OPRL1 (0.33) HTR1ADRD2HRH1DRD3HTR2A
SCHEMBL6617335 0.82 OPRL1 (0.41) OPRM1DRD3SLC6A4SLC6A3OPRL1
SCHEMBL7229259 0.82 OPRL1 (0.36) SLC6A4SLC6A3OPRL1
SCHEMBL7228348 0.80 OPRL1 (0.35) HTR1ADRD2HRH1DRD3HTR2A
SCHEMBL16555300 0.80 OPRL1 (0.35) OPRL1
SCHEMBL379213 0.80 OPRL1 (0.35) OPRL1
SCHEMBL16565846 0.80 OPRL1 (0.35) OPRL1
SCHEMBL7229023 0.80 OPRL1 (0.35) OPRL1

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