SCHEMBL6238899

SCHEMBL6238899

N#CC1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.55
AR P10275 11/20 0.45
KDM4E B2RXH2 2/20 0.45
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ACACB O00763 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL6235020 0.79 NOTUM (0.48) NOTUMARKDM4E
SCHEMBL21542324 0.77 NOTUM (0.50) NOTUMKDM4EALDH1A1
SCHEMBL21624776 0.75 NOTUM (0.64) NOTUMARACACB
SCHEMBL21624778 0.75 NOTUM (0.64) NOTUMARACACB
SCHEMBL1409422 0.75 NOTUM (0.67) NOTUMARACACB
SCHEMBL6232950 0.75 ALDH1A1 (0.57) NOTUMKDM4EALDH1A1
SCHEMBL2928855 0.74 HTR3E (0.55) NOTUMARALDH1A1
SCHEMBL11453106 0.74 NOTUM (0.51) NOTUMAR
SCHEMBL31193968 0.73 PDE3B (0.53) NOTUMARKDM4EPDE3BPDE3A
Hydrochloric Acid SCHEMBL2276790 0.73 THRB (0.56) NOTUMARALDH1A1

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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO claimed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed