SCHEMBL3672930

SCHEMBL3672930

CC(N)Cc1ccccc1S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.52
SLC6A4 P31645 4/20 0.52
SLC6A3 Q01959 3/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAOA P21397 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 2/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1E P28566 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL2857779 0.85 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL3072319 0.81 EPHX1 (0.48) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL943149 0.81 GABRA1 (0.54) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL27787183 0.79 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL3675446 0.78 HTR2A (0.50) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL1724429 0.77 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA
Ortetamine SCHEMBL3460028 0.77 TAAR1 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL162317 0.77 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA
Ortetamine SCHEMBL42180 0.77 TAAR1 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA
SCHEMBL3458915 0.77 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3TAAR1MAOA

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