SCHEMBL14036803

SCHEMBL14036803

COc1cc(C)c(CNCCN(C)C)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
CHRNA4 P43681 1/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL14036774 0.78 GAA (0.51) GAAPOLBGFERKMT2ASMN1; SMN2
SCHEMBL14036535 0.77 MEN1 (0.45) GAAPOLBGFERKMT2ACYP1A2
SCHEMBL5013641 0.76 POLB (0.43) GAAPOLBGFERKMT2ACYP2D6
SCHEMBL14036621 0.73 MEN1 (0.49) GAAPOLBGFERKMT2ASMN1; SMN2
SCHEMBL12425507 0.73 POLB (0.56) GAAPOLBGFERKMT2AP2RX3
SCHEMBL12781719 0.71 P2RX3 (0.47) GAAPOLBGFERCYP1A2ADRA2A
SCHEMBL5014668 0.71 POLB (0.59) GAAPOLBGFERKMT2AP2RX3
SCHEMBL14036690 0.70 GAA (0.43) GAAPOLBGFERKMT2ASMN1; SMN2
SCHEMBL20969580 0.69 TAAR1 (0.57) GAAPOLBGFERCYP1A2HTR2C
SCHEMBL16269630 0.69 CHRM2 (0.68) POLBKMT2ACYP2D6SMN1; SMN2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed