SCHEMBL22744879

SCHEMBL22744879

Cc1ccc(-c2ccccc2N(C)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.40
PGR P06401 1/20 0.35
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
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 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
SCHEMBL19163545 0.91 PDK2 (0.44) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL15213978 0.91 PDK2 (0.46) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL23601195 0.89 PDK2 (0.41) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL19849790 0.86 PDK2 (0.46) PDK2PGR
SCHEMBL13569440 0.86 PDK2 (0.52) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL23601179 0.85 PDK2 (0.38) PDK2PGRMEN1NPC1RAB9A
SCHEMBL18801612 0.85 PDK2 (0.44) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL19844104 0.84 PDK2 (0.36) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL19866437 0.84 PDK2 (0.43) PDK2PGRMLNRNR1I2CHRM2
SCHEMBL20091292 0.84 PDK2 (0.44) PDK2PGR

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-2020237835-A1 SPIROBIFLUORENE ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE 南京高光半导体材料有限公司 2020-12-03 WO disclosed