SCHEMBL3894893

SCHEMBL3894893

C=CCN[C@@H]1c2ccccc2CC1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
HTR1A P08908 6/20 0.46
PRCP P42785 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
OPRM1 P35372 1/20 0.37
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL3894933 1.00 SIGMAR1 (0.50) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL8099489 0.81 SIGMAR1 (0.50) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL2032504 0.81 SIGMAR1 (0.50) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL8099494 0.81 SIGMAR1 (0.50) SIGMAR1HTR1APRCPMAOBMAOA
Bromide SCHEMBL2033211 0.80 SIGMAR1 (0.49) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL7538877 0.77 SIGMAR1 (0.55) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL9277494 0.71 SIGMAR1 (0.41) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL8395590 0.71 SIGMAR1 (0.59) SIGMAR1HTR1AMAOBMAOAGRIN2B
SCHEMBL7485740 0.69 SIGMAR1 (0.47) SIGMAR1HTR1APRCPOPRM1CHRNB2
SCHEMBL1969755 0.68 HTR1A (0.62) SIGMAR1HTR1AMAOBMAOA

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
US-7598420-B1 Rasagiline formulations and processes for their preparation TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-10-06 US claimed
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