SCHEMBL6657486

SCHEMBL6657486

COc1cccc(CNC(=O)c2cc3ccccc3[nH]2)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
FLT3 P36888 1/20 0.54
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
KDM4E B2RXH2 4/20 0.52
SMO Q99835 1/20 0.52
TP53 P04637 2/20 0.52
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
HTR2C P28335 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOB P27338 1/20 0.51
DRD4 P21917 1/20 0.51
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL6661461 0.91 ROCK2 (0.59) MTNR1AMTNR1BFLT3DRD2DRD3
SCHEMBL6660067 0.89 MTNR1A (0.57) MTNR1AMTNR1BDRD2DRD3KDM4E
SCHEMBL6656183 0.89 MTNR1A (0.57) MTNR1AMTNR1BFLT3DRD2DRD3
SCHEMBL6661201 0.86 FLT3 (0.58) MTNR1AMTNR1BFLT3DRD2DRD3
SCHEMBL6657213 0.82 FLT3 (0.54) MTNR1AMTNR1BFLT3DRD2DRD3
SCHEMBL6661736 0.82 KDM4E (0.64) MTNR1AMTNR1BFLT3DRD2DRD3
SCHEMBL6658648 0.81 DRD2 (0.57) MTNR1AMTNR1BDRD2DRD3KDM4E
SCHEMBL6657726 0.80 GAA (0.53) MTNR1AMTNR1BDRD2DRD3KDM4E
SCHEMBL2735835 0.80 KDM4E (0.57) FLT3DRD3KDM4EROCK2ROCK1
SCHEMBL22809795 0.79 KDM4E (0.58) MTNR1AMTNR1BDRD2DRD3KDM4E

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-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed