SCHEMBL7975175

SCHEMBL7975175

O=[C]N(c1cncc(Cl)c1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
CHRNB2 P17787 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
HDAC6 Q9UBN7 3/20 0.32
TRPA1 O75762 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNA7 P36544 1/20 0.31
HSD11B1 P28845 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL4118367 0.76 CYP2C9 (0.40) HPGDTSHR
SCHEMBL14855820 0.68 MEN1 (0.46) HPGDTSHR
SCHEMBL2393892 0.68 MEN1 (0.46) HPGDTSHR
SCHEMBL14855771 0.66 MEN1 (0.44) HPGD
SCHEMBL14855591 0.64 MEN1 (0.41) HPGD
SCHEMBL7974741 0.64 ALDH1A1 (0.35) HPGDTSHR
SCHEMBL27666322 0.62 HRH4 (0.36) HPGD
SCHEMBL827241 0.61 ALDH1A1 (0.48) HCAR2CHRNB2CHRNA4TSHR
SCHEMBL7975178 0.61 SMYD3 (0.74) SMYD3
SCHEMBL31375038 0.60 S100A9 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed