SCHEMBL6661201

SCHEMBL6661201

COc1cccc(OC)c1CNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.58
DRD3 P35462 4/20 0.56
DRD2 P14416 2/20 0.56
KDM4E B2RXH2 4/20 0.56
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HTR2C P28335 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
DRD4 P21917 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.53
AKR1C3 P42330 1/20 0.52
HTR1A P08908 1/20 0.52

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
SCHEMBL6657213 0.93 FLT3 (0.54) FLT3DRD3DRD2KDM4EMTNR1A
SCHEMBL6664487 0.90 KDM4E (0.55) FLT3KDM4EMTNR1AMTNR1BMEN1
SCHEMBL6657806 0.90 DRD2 (0.54) FLT3DRD3DRD2KDM4EMTNR1A
SCHEMBL6661461 0.88 ROCK2 (0.59) FLT3DRD3DRD2KDM4EMTNR1A
SCHEMBL6657726 0.86 GAA (0.53) DRD3DRD2KDM4EMTNR1AMTNR1B
SCHEMBL6656183 0.86 MTNR1A (0.57) FLT3DRD3DRD2KDM4EMTNR1A
SCHEMBL6657486 0.86 MTNR1A (0.57) FLT3DRD3DRD2KDM4EMTNR1A
SCHEMBL3928684 0.85 FLT3 (0.52) FLT3DRD3DRD2KDM4EMTNR1A
SCHEMBL13596219 0.82 ADRB2 (0.63) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL18669175 0.82 KDM4E (0.60) DRD3DRD2KDM4EHTR2CALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460064-A1 Indole-2-carboxamide derivatives useful as beta-2 agonists Pfizer Limited (GB) 2004-09-22 EP disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed