SCHEMBL12703011

SCHEMBL12703011

CC1(C)c2ccccc2-c2ccc(N(N)c3ccc4ccccc4c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.38
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ MLNR O43193 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ OPRM1 P35372 1/20 0.33

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
SCHEMBL12703005 0.91 PDK2 (0.43) PDK2SLC6A2SLC6A4MLNRNR1I2
SCHEMBL21763429 0.91 LPL (0.38) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL21763375 0.91 PDK2 (0.36) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL24646511 0.88 PDK2 (0.39) PDK2SLC6A2SLC6A4MLNRNR1I2
SCHEMBL15178611 0.88 PDK2 (0.39) PDK2SLC6A2SLC6A4MLNRNR1I2
SCHEMBL12715088 0.87 PDK2 (0.48) PDK2SLC6A2SLC6A4MLNRNR1I2
SCHEMBL21416352 0.86 PDK2 (0.43) PDK2SLC6A2SLC6A4MLNRNR1I2
SCHEMBL24177579 0.86 PDK2 (0.40) PDK2SLC6A2SLC6A4MLNRNR1I2
SCHEMBL23967649 0.85 PDK2 (0.40) PDK2SLC6A2SLC6A4MLNRNR1I2
SCHEMBL20036912 0.85 PDK2 (0.38) PDK2SLC6A2SLC6A4MLNRNR1I2

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
EP-2309565-A2 Organic light-emitting device Samsung Mobile Display Co., Ltd. (KR) 2011-04-13 — — EP disclosed
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