SCHEMBL13618840

SCHEMBL13618840

C=C(Cl)CN[13C@@H]1[13CH2][13CH2]c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.55
MAOB P27338 4/20 0.55
BCHE P06276 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ACHE P22303 1/20 0.55
ADRA1A P35348 1/20 0.55
HTR6 P50406 1/20 0.55
PDPK1 O15530 1/20 0.51
SLC18A3 Q16572 1/20 0.49
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
TAS1R2 Q8TE23 2/20 0.48
KDM1A O60341 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
FADS1 O60427 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL241264 1.00 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3895376 1.00 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL13618839 1.00 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL13618837 1.00 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3415622 1.00 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
Oxalic Acid SCHEMBL3421257 0.93 MAOA (0.49) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3421683 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL13651749 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3421666 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL9499569 0.82 MAOA (0.63) MAOAMAOBBCHEADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619117-B1 Rasagiline formulations and processes for their preparation TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-11-17 US disclosed
US-7598420-B1 Rasagiline formulations and processes for their preparation TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-10-06 US disclosed
US-7572834-B1 Rasagiline formulations and processes for their preparation TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-08-11 US disclosed