SCHEMBL7979802

SCHEMBL7979802

O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1cnc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.47
DRD3 P35462 8/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
CNR2 P34972 1/20 0.43
PPARD Q03181 1/20 0.41
HDAC2 Q92769 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 2/20 0.40
HPGDS O60760 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL8082182 0.97 DRD2 (0.49) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL8075519 0.85 NPC1 (0.49) HDAC3HDAC1HDAC2
SCHEMBL7072913 0.85 CHRNB2 (0.40) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7979386 0.85 MAPT (0.58) MAPTL3MBTL1
SCHEMBL8061945 0.84 KMT2A (0.47) DRD2DRD3L3MBTL1
SCHEMBL7982312 0.83 HDAC3 (0.38) HDAC3HDAC1L3MBTL1
SCHEMBL7979672 0.82 KDM4E (0.51) HDAC1
SCHEMBL7977366 0.81 NPC1 (0.48) HDAC3HDAC1HDAC2MAPTL3MBTL1
SCHEMBL8051038 0.81 MCHR1 (0.48) HDAC3HDAC1MAPT
SCHEMBL8067282 0.80 NPC1 (0.55)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed