SCHEMBL14744296

SCHEMBL14744296

N[C@@H]1CCN(CCC(=O)COC(=O)C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
LTA4H P09960 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5744835 0.73 HRH2 (0.44) HRH2HRH1LTA4HSMN1; SMN2HRH3
SCHEMBL20838985 0.71 HRH2 (0.35) HRH2HRH1
SCHEMBL20838978 0.71 HRH2 (0.35) HRH2HRH1
SCHEMBL21063385 0.71 SMN1; SMN2 (0.33) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL28249295 0.70 HRH2 (0.41) HRH2HRH1SMN1; SMN2HRH3
Trifluoroacetic Acid SCHEMBL28249916 0.70 HRH2 (0.39) HRH2HRH1LTA4HHRH3
SCHEMBL24675480 0.70 HRH2 (0.49) HRH2HRH1LTA4HSMN1; SMN2HRH3
SCHEMBL3604108 0.69 SLC18A3 (0.35) SMN1; SMN2HTT
SCHEMBL4056780 0.69 SLC18A3 (0.35) SMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL28249292 0.68 GNAI3 (0.47) HRH2HRH1HRH3

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-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed