SCHEMBL11328818

SCHEMBL11328818

CCCNC(OC)(OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.44
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SCN3A Q9NY46 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.37
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
CES1 P23141 1/20 0.34
HTR1D P28221 1/20 0.33

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
Hydrochloric Acid SCHEMBL27718739 0.82 KCNN4 (0.55) KCNN4LMNAHTTKIF11KMT2A
SCHEMBL8961063 0.75 KCNN4 (0.68) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL6891739 0.74 KCNN4 (0.48) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL4403153 0.74 KCNN4 (0.48) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL17758245 0.73 KCNN4 (0.52) KCNN4CYP2D6LMNAMAPK1CES1
SCHEMBL3956335 0.71 KCNN4 (0.45) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL9208385 0.70 CYP2D6 (0.40) HTR1ACYP2D6SCN1ASLC6A3SCN5A
SCHEMBL11983162 0.69 KCNN4 (0.41) KCNN4TDP1L3MBTL1KDM4EMAPK1
SCHEMBL3954586 0.68 KCNN4 (0.42) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL28370279 0.68 KDM4E (0.44) KCNN4KDM4EMAPK1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256741-A INSECTICIDES, MITICIDES, APHIDICIDES VELSICOL CHEMICAL CORPORATION (US) 1981-03-17 US disclosed
US-4226859-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1980-10-07 US disclosed