SCHEMBL3671144

SCHEMBL3671144

CCCc1c(S)cccc1CCN

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 12/20 0.42
HTR2A P28223 3/20 0.36
HMGB1 P09429 1/20 0.35
HRH1 P35367 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3668720 0.89 TAAR1 (0.44) TAAR1HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL8517749 0.88 KDM4E (0.35)
SCHEMBL3672877 0.88 TLR8 (0.43)
SCHEMBL15105310 0.82 GABRA1 (0.41) TAAR1
SCHEMBL3670450 0.81 TAAR1 (0.45) TAAR1HTR2AHMGB1HRH1MAPT
SCHEMBL3670351 0.81 TLR8 (0.43) TAAR1HTR2A
SCHEMBL6561560 0.78 TAAR1 (0.57) TAAR1HMGB1MAPT
SCHEMBL8517572 0.77 LIPG (0.39) NPSR1
SCHEMBL3769573 0.76 LIPG (0.46)
SCHEMBL3672931 0.75 TAAR1 (0.52) TAAR1HTR2AHMGB1HRH1MAPT

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