SCHEMBL6202470

SCHEMBL6202470

CC1CNCCN1c1nccnc1OCCOc1ccc2nc(N)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 18/20 0.47
HTR2C P28335 1/20 0.40
CYBB P04839 1/20 0.38
NOX5 Q96PH1 1/20 0.38

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
SCHEMBL2640239 0.80 NCF1 (0.47) NCF1
SCHEMBL4320241 0.80 NCF1 (0.47) NCF1
SCHEMBL4320148 0.79 HTR2C (0.53) HTR2C
SCHEMBL4317284 0.79 HTR2C (0.53) HTR2C
SCHEMBL4308400 0.79 HTR2C (0.53) HTR2C
SCHEMBL4314743 0.78 HTR2C (0.44) HTR2C
SCHEMBL6200332 0.78 HTR2C (0.43) HTR2C
SCHEMBL4313298 0.76 HTR2C (0.39) HTR2C
SCHEMBL4316440 0.75 CHRNA7 (0.44) HTR2C
SCHEMBL235730 0.75 CHRNA7 (0.44) HTR2C

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-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP claimed