SCHEMBL7001971

SCHEMBL7001971

Nc1cc(Cl)cnc1OCC(=O)N1C2CCC1CC(Cc1ccc(F)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR2 O43614 2/20 0.38
RPS6KB1 P23443 1/20 0.35
CCR3 P51677 2/20 0.35
HCRTR1 O43613 1/20 0.34
HTR1A P08908 2/20 0.34
DRD4 P21917 2/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR7 P34969 2/20 0.34
DRD3 P35462 2/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2C P28335 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6999933 0.89 MEN1 (0.37) MEN1POLBKMT2AHCRTR2CCR3
SCHEMBL6761301 0.86 HCRTR2 (0.40) HCRTR2CCR3HCRTR1
SCHEMBL6996220 0.86 CCR1 (0.43) HTR1ADRD4HTR2ASLC6A4HTR7
SCHEMBL6761297 0.86 HCRTR2 (0.40) HCRTR2CCR3HCRTR1
SCHEMBL6997076 0.85 GAA (0.42) MEN1POLBKMT2AHCRTR2CCR3
SCHEMBL6996406 0.85 CCR1 (0.42) MEN1POLBKMT2ACCR3
SCHEMBL6999918 0.82 CCR1 (0.40)
SCHEMBL6996562 0.80 POLB (0.54) MEN1POLBKMT2AL3MBTL1
SCHEMBL6998823 0.77 CCR1 (0.46) MEN1POLBKMT2ACCR3
SCHEMBL7000468 0.77 CCR1 (0.47) MEN1POLBKMT2ACCR3

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-1326867-A2 BRIDGED PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-07-16 EP disclosed
WO-2002032901-A2 BRIDGED PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-04-25 WO disclosed