SCHEMBL5250208

SCHEMBL5250208

O=c1oc2cc(N3CCN(CCCF)CC3)ccc2cc1-c1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
PIK3CB P42338 1/20 0.55
ALK Q9UM73 2/20 0.53
DRD2 P14416 12/20 0.43
DRD3 P35462 11/20 0.43
HTR2A P28223 9/20 0.43
SLC6A4 P31645 9/20 0.43
HTR1A P08908 8/20 0.43
HTR7 P34969 8/20 0.43
HTR2C P28335 5/20 0.43
DRD1 P21728 3/20 0.43
DRD4 P21917 3/20 0.43
HRH1 P35367 4/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL4503114 0.95 PIK3CD (0.57) PIK3CDPIK3CBALKDRD2DRD3
SCHEMBL4498587 0.91 PIK3CD (0.57) PIK3CDPIK3CBALKDRD2DRD3
SCHEMBL4506508 0.89 PIK3CD (0.59) PIK3CDPIK3CBALKDRD2DRD3
SCHEMBL4505982 0.86 PIK3CD (0.62) PIK3CDPIK3CBALKPOLB
SCHEMBL16674768 0.84 PIK3CD (0.64) PIK3CDPIK3CBALK
SCHEMBL4505188 0.83 PIK3CD (0.63) PIK3CDPIK3CBALK
SCHEMBL4499425 0.83 ALK (0.49) PIK3CDPIK3CBALKDRD2DRD3
SCHEMBL15068911 0.83 PIK3CD (0.58) PIK3CDPIK3CBALK
Hydrochloric Acid SCHEMBL15069133 0.82 PIK3CD (0.62) PIK3CDPIK3CBALK
SCHEMBL15069039 0.81 PIK3CD (0.59) PIK3CDPIK3CBALKPOLB

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-1483262-B1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2007-11-14 EP disclosed