SCHEMBL6167866

SCHEMBL6167866

CO/N=C/c1cc(N2CCCCC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.47
ELOVL1 Q9BW60 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CHKA P35790 1/20 0.39
FLT3 P36888 2/20 0.38
MAP4K4 O95819 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TERT O14746 1/20 0.36
S100B P04271 1/20 0.36
OPRK1 P41145 1/20 0.35
IP6K1 Q92551 1/20 0.35

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
SCHEMBL6167874 1.00 HRH4 (0.47) HRH4ELOVL1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7260368 0.99 HRH4 (0.46) HRH4ELOVL1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7260366 0.99 HRH4 (0.46) HRH4ELOVL1MAPTALDH1A1LMNA
SCHEMBL25813337 0.73 HRH4 (0.47) HRH4ELOVL1MAPTALDH1A1CHKA
SCHEMBL8683198 0.72 RRM2 (0.43) HRH4KDM4E
SCHEMBL9455784 0.70 HRH4 (0.58) HRH4ELOVL1MAPTALDH1A1LMNA
SCHEMBL425041 0.68 HRH4 (0.56) HRH4ELOVL1MAPTALDH1A1MAPK1
SCHEMBL17256990 0.67 KDM4E (0.37) ALDH1A1LMNAKDM4E
SCHEMBL5847761 0.66 HRH4 (0.54) HRH4ELOVL1MAPTALDH1A1LMNA
SCHEMBL31341814 0.66 HRH4 (0.54) HRH4ELOVL1MAPTALDH1A1LMNA

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
EP-1177189-B1 SOLVATES OF PYMETROZINE SYNGENTA PARTICIPATIONS AG (CH) 2005-12-14 EP disclosed
US-6784176-B2 SOLVENTS AND HYDRATES OF PYMETROZINE OR ITS SALTS USED FOR THE CONTROL OF PESTS. SYNGENTA CROP PROTECTION, INC. 2004-08-31 US disclosed
CN-1350529-A Solvates of pymetrozine SHINGENTA INC (CH) 2002-05-22 CN disclosed
EP-1177189-A2 SOLVATES OF PYMETROZINE Syngenta Participations AG (CH) 2002-02-06 EP disclosed
WO-2000068222-A2 SOLVATES OF PYMETROZINE SYNGENTA PARTICIPATIONS AG (CH) 2000-11-16 WO disclosed