SCHEMBL3668481

SCHEMBL3668481

CCCC(N)C1(S)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A2 P23975 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
SCHEMBL3672948 0.82 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL9440027 0.76 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL3669888 0.69 SLC6A3 (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL3674758 0.67 ALDH1A1 (0.36) SLC6A4SLC6A3
SCHEMBL22609045 0.67 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL7770587 0.66 ALDH1A1 (0.42) SLC6A3
SCHEMBL9562492 0.65
SCHEMBL8964887 0.64
SCHEMBL3681515 0.63 SLC6A4 (0.32) SLC6A4SLC6A3
Cyclopentane SCHEMBL8999723 0.63 OPRM1 (0.33)

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