SCHEMBL7222792

SCHEMBL7222792

N#CC1(c2cncc(Cl)c2)CC2CCC(C1)N2Cc1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 3/20 0.41
SCN1A P35498 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
OPRL1 P41146 2/20 0.35
CLPP Q16740 1/20 0.35
SOS1 Q07889 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TGFBR1 P36897 3/20 0.33
MAPK1 P28482 1/20 0.32
TGFBR2 P37173 1/20 0.32
EGFR P00533 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
SCHEMBL7221508 0.86 OPRL1 (0.43) DRD2DRD4DRD3OPRL1
SCHEMBL7228313 0.83 DRD2 (0.34) DRD2DRD4DRD3OPRL1CYP11B1
SCHEMBL7497979 0.83 LTA4H (0.41) DRD2DRD4DRD3OPRL1
SCHEMBL7685312 0.82 OPRL1 (0.39) DRD2DRD4DRD3OPRL1
SCHEMBL7890200 0.82 KDM4E (0.37) DRD2DRD4DRD3OPRL1CYP11B1
Potassium Ion SCHEMBL7221815 0.81 KCNH2 (0.38) DRD2DRD4DRD3OPRL1
SCHEMBL7224068 0.81 OPRL1 (0.37) DRD2DRD4DRD3OPRL1CYP11B1
SCHEMBL16565846 0.79 OPRL1 (0.35) OPRL1CYP11B1CYP11B2
SCHEMBL379213 0.79 OPRL1 (0.35) OPRL1CYP11B1CYP11B2
SCHEMBL16555300 0.79 OPRL1 (0.35) OPRL1CYP11B1CYP11B2

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