SCHEMBL10520122

SCHEMBL10520122

C=CN1CCc2cccc3scc(c23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
LMNA P02545 1/20 0.37
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIN2D O15399 2/20 0.30
GRIN3B O60391 2/20 0.30
GRIN1 Q05586 2/20 0.30

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
SCHEMBL8307804 0.75 MAOA (0.54) MAPTMAOAMAOBDRD2DRD3
SCHEMBL10519798 0.71 MAOA (0.32) LMNAMAOAMAOBNPC1
SCHEMBL30846758 0.65 ADRA1D (0.43) MAPTMAOAMAOBMEN1NPC1
SCHEMBL18773853 0.65 ADRA1D (0.43) MAPTMAOAMAOBMEN1NPC1
SCHEMBL9392520 0.64 PNMT (0.50) MAOB
SCHEMBL16353616 0.59
SCHEMBL13959739 0.59 MAOA (0.41) MAPTLMNAMAOADRD2MEN1
SCHEMBL22782398 0.58 PDE4D (0.73) MAOAMAOBDRD1DRD4DRD5
SCHEMBL56072 0.57 MAOA (0.54) MAPTMAOAMAOBDRD2DRD3
SCHEMBL1772697 0.56 PRCP (0.42) MAPTDRD1

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-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed