SCHEMBL3672443

SCHEMBL3672443

NCc1cccc(F)c1CN

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
MAOB P27338 2/20 0.43
PNMT P11086 2/20 0.43
IDO1 P14902 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
HTT P42858 1/20 0.38
DPP4 P27487 1/20 0.37
HTR2A P28223 1/20 0.36
MPO P05164 1/20 0.36
SLC6A4 P31645 1/20 0.36
GAA P10253 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL13084 0.85 TAAR1 (0.54) TAAR1MAOBLOXL2DPP4HTR2A
SCHEMBL27689459 0.85 TAAR1 (0.43) TAAR1MAOBPNMTIDO1LOXL2
SCHEMBL20252575 0.85 TAAR1 (0.43) TAAR1MAOBPNMTIDO1HTT
SCHEMBL8223510 0.85 TAAR1 (0.47) TAAR1MAOBPNMTIDO1LOXL2
SCHEMBL14734422 0.85 TAAR1 (0.43) TAAR1MAOBPNMTIDO1LOXL2
SCHEMBL28838777 0.85 TAAR1 (0.43) TAAR1MAOBPNMTIDO1LOXL2
Hydrochloric Acid SCHEMBL5472476 0.82 TAAR1 (0.52) TAAR1MAOBIDO1LOXL2HTT
Iodide SCHEMBL28981861 0.82 TAAR1 (0.52) TAAR1MAOBLOXL2DPP4HTR2A
SCHEMBL5399463 0.82 PNMT (0.52) TAAR1PNMTLOXL2DPP4HTR2A
SCHEMBL21136476 0.81 TAAR1 (0.45) TAAR1MAOBIDO1HTR2AMPO

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