SCHEMBL9756771

SCHEMBL9756771

NCCCCc1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.51
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
KDM4E B2RXH2 5/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALPL P05186 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
MAPK1 P28482 1/20 0.48
MAOA P21397 1/20 0.47
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL7951004 0.84 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7949955 0.84 CCR1 (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4849559 0.83 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9680002 0.83 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4849761 0.83 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL12131376 0.82 CCR1 (0.51) CCR1CCR5CCR8KDM4ELMNA
Dipyridyl SCHEMBL1923113 0.80 CCR1 (0.46) HRH1CCR1CCR5CCR8KDM4E
Dipyridyl SCHEMBL1318097 0.80 CCR1 (0.46) HRH1CCR1CCR5CCR8KDM4E
SCHEMBL7949918 0.79 CCR1 (0.49) CCR1CCR5CCR8KDM4ELMNA
Dipyridyl SCHEMBL701722 0.79 CCR1 (0.45) HRH1CCR1CCR5CCR8KDM4E

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
WO-1991019730-A1 RNA HYDROLYSIS/CLEAVAGE MONSANTO COMPANY (US) 1991-12-26 WO disclosed