SCHEMBL14499257

SCHEMBL14499257

CC1(C)c2ccccc2-c2ccc(N(c3ccc(Sc4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(Sc6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.39
▸ MAOB P27338 3/20 0.39
▸ PDK2 Q15119 3/20 0.38
▸ BCL2 P10415 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ 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
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 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
SCHEMBL25680937 0.93 PDK2 (0.41) MAOAMAOBPDK2BCL2MCL1
SCHEMBL29512070 0.89 PDK2 (0.46) PDK2SLC6A4MLNRNR1I2CHRM2
SCHEMBL22000499 0.89 PDK2 (0.46) PDK2SLC6A4MLNRNR1I2CHRM2
SCHEMBL1338609 0.89 PDK2 (0.46) PDK2SLC6A4MLNRNR1I2CHRM2
SCHEMBL16200615 0.89 PDK2 (0.46) PDK2SLC6A4MLNRNR1I2CHRM2
SCHEMBL1753495 0.89 PDK2 (0.46) PDK2SLC6A4MLNRNR1I2CHRM2
SCHEMBL3793714 0.89 PDK2 (0.46) PDK2SLC6A4MLNRNR1I2CHRM2
SCHEMBL17014867 0.89 PDK2 (0.46) PDK2SLC6A4MLNRNR1I2CHRM2
SCHEMBL14340229 0.89 PDK2 (0.46) PDK2SLC6A4MLNRNR1I2CHRM2
SCHEMBL30838743 0.89 PDK2 (0.46) PDK2SLC6A4MLNRNR1I2CHRM2

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
US-7229702-B2 Oligofluorenlylene compounds CANON KABUSHIKI KAISHA (JP) 2007-06-12 — — US disclosed
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