SCHEMBL3675447

SCHEMBL3675447

Cc1c(S)cccc1CCCN

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.39
TLR8 Q9NR97 4/20 0.37
MPO P05164 2/20 0.37
SLC6A4 P31645 2/20 0.37
CD274 Q9NZQ7 1/20 0.33
MAOA P21397 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL3672931 0.88 TAAR1 (0.52) TAAR1CD274MAPTMAPK1NPSR1
SCHEMBL21901481 0.82 LIPG (0.39)
SCHEMBL28014244 0.81 LIPG (0.46)
SCHEMBL4078195 0.80 TAAR1 (0.52) TAAR1TLR8MPOSLC6A4MAPT
SCHEMBL3676776 0.79 TAAR1 (0.41) TAAR1MPOSLC6A4MAOACYP2A6
SCHEMBL3670351 0.79 TLR8 (0.43) TAAR1TLR8MPOSLC6A4HTR2A
SCHEMBL6195324 0.78 MPO (0.49) TAAR1TLR8MPOSLC6A4CD274
Hydrochloric Acid SCHEMBL5154766 0.78 TAAR1 (0.50) TAAR1TLR8MPOSLC6A4MAPT
SCHEMBL12523564 0.77 TAAR1 (0.48) TAAR1TLR8MPOSLC6A4MAPT
SCHEMBL28402775 0.74 TAAR1 (0.43) TAAR1TLR8MPOSLC6A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed