SCHEMBL30307405

SCHEMBL30307405

CCCCCNc1ccnc2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.82
ADRA1D P25100 4/20 0.82
ADRA1A P35348 4/20 0.82
ADRA1B P35368 4/20 0.82
FERMT2 Q96AC1 1/20 0.65
HRH3 Q9Y5N1 5/20 0.61
S1PR2 O95136 1/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
UTS2R Q9UKP6 1/20 0.55
ACHE P22303 2/20 0.54

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
SCHEMBL16916968 1.00 HTR1A (0.82) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9652157 0.98 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL31197364 0.98 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15923360 0.98 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL31197375 0.98 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8909239 0.98 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL17994860 0.95 HTR1A (0.79) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15923233 0.91 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15923172 0.91 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL28203129 0.91 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BFERMT2

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
CN-115947684-A Method for preparing 4-aminoquinoline derivatives through palladium and copper concerted catalytic oxidation aromatization 贵州医科大学 2023-04-11 CN disclosed