SCHEMBL9697124

SCHEMBL9697124

Fc1ccc(Cn2cnc3ncccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.54
LTA4H P09960 1/20 0.48
CYP11B1 P15538 6/20 0.45
CYP11B2 P19099 6/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TNF P01375 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MET P08581 2/20 0.43
CYP19A1 P11511 2/20 0.43
POLB P06746 1/20 0.42
KAT2B Q92831 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL13508713 0.86 CYP11B1 (0.62) GRM2LTA4HCYP11B1CYP11B2HTT
SCHEMBL31229158 0.85 CYP11B1 (0.62) LTA4HCYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL10641566 0.81 CYP11B1 (0.45) GRM2LTA4HCYP11B1CYP11B2HTT
SCHEMBL22533654 0.81 LTA4H (0.45) GRM2LTA4HCYP11B1CYP11B2HTT
SCHEMBL10468436 0.80 MEN1 (0.64) GRM2LTA4HCYP11B1CYP11B2TNF
SCHEMBL7834456 0.78 CYP11B1 (0.75) GRM2CYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL18805043 0.78 CYP11B1 (0.75) GRM2CYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL6660983 0.77 HDAC1 (0.62) LTA4HCYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL30932218 0.75 TP53 (0.66) GRM2CYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL9696462 0.75 TP53 (0.66) GRM2CYP11B1CYP11B2HTTSMN1; SMN2

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-1992006086-A1 NOVEL 4-PIPERIDINYLCARBONYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-16 WO disclosed