SCHEMBL4779484

SCHEMBL4779484

COc1cc2c(cc1OC)CN(C=CC=O)CC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.72
MAOB P27338 4/20 0.53
MAOA P21397 2/20 0.53
SLC6A4 P31645 1/20 0.53
CA7 P43166 1/20 0.50
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL8312395 0.84 PDE4D (1.00) PDE4DMAOBMAOASLC6A4CA7
SCHEMBL31166478 0.84 PDE4D (1.00) PDE4DMAOBMAOASLC6A4CA7
SCHEMBL22782398 0.79 PDE4D (0.73) PDE4DMAOBMAOASLC6A4CA7
SCHEMBL3262735 0.79 PDE4D (0.83) PDE4DMAOBMAOASLC6A4CA7
SCHEMBL21255976 0.75 PDE4D (1.00) PDE4DMAOBMAOASLC6A4CA7
SCHEMBL11741335 0.75 PDE4D (0.80) PDE4DMAOBMAOASLC6A4CA7
SCHEMBL26654641 0.75 PDE4D (0.80) PDE4DMAOBMAOASLC6A4CA7
SCHEMBL7702933 0.74 MAOA (0.47) MAOBMAOATHRBMAPTTSHR
SCHEMBL7697759 0.73 AKR1C3 (0.38) PDE4DGAAKMT2ANPC1MEN1
SCHEMBL21255798 0.72 PDE4D (0.74) PDE4DMAOBMAOASLC6A4CA7

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-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed