SCHEMBL7510138

SCHEMBL7510138

Fc1ccc(CCNc2ccnc3c(F)cccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.49
ADRA1D P25100 4/20 0.49
ADRA1A P35348 4/20 0.49
ADRA1B P35368 4/20 0.49
RPS6KB1 P23443 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
RCE1 Q9Y256 1/20 0.45
AKT1 P31749 1/20 0.45
CNR2 P34972 2/20 0.44

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
SCHEMBL7504497 0.90 LMNA (0.56) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL7505881 0.89 CCNC (0.53) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL7505000 0.89 CCNC (0.53) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL7505544 0.89 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL30827848 0.89 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL23202861 0.89 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL7505428 0.89 CCNC (0.53) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL7503084 0.88 KDM4E (0.48) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL7501850 0.87 CCNC (0.57) HTR1AADRA1DADRA1AADRA1BRPS6KB1
SCHEMBL7511143 0.86 RPS6KB1 (0.50) HTR1AADRA1DADRA1AADRA1BRPS6KB1

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-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed