SCHEMBL6660067

SCHEMBL6660067

COc1c(C)cccc1CNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
KDM4E B2RXH2 4/20 0.52
HTR2C P28335 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AKR1C3 P42330 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47

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
SCHEMBL6657486 0.89 MTNR1A (0.57) MTNR1AMTNR1BDRD2DRD3KDM4E
SCHEMBL6656183 0.84 MTNR1A (0.57) MTNR1AMTNR1BDRD2DRD3KDM4E
SCHEMBL6661461 0.83 ROCK2 (0.59) MTNR1AMTNR1BDRD2DRD3KDM4E
SCHEMBL22809795 0.79 KDM4E (0.58) MTNR1AMTNR1BDRD2DRD3KDM4E
SCHEMBL6661201 0.79 FLT3 (0.58) MTNR1AMTNR1BDRD2DRD3KDM4E
SCHEMBL6661736 0.77 KDM4E (0.64) MTNR1AMTNR1BDRD2DRD3KDM4E
SCHEMBL6656620 0.77 POLB (0.59) DRD2DRD3KDM4EHTR2CALDH1A1
SCHEMBL6659424 0.77 KDM4E (0.60) DRD2DRD3KDM4EHTR2CALDH1A1
SCHEMBL16465040 0.77 DRD2 (0.54) DRD2DRD3KDM4EHTR2CALDH1A1
SCHEMBL6658648 0.77 DRD2 (0.57) 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