SCHEMBL24565129

SCHEMBL24565129

c1cc(C2CCCCCC2)nc(C2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
CNR2 P34972 7/20 0.50
CHRNA7 P36544 1/20 0.49
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CYP11B2 P19099 1/20 0.42
MIF P14174 1/20 0.41
CYP19A1 P11511 2/20 0.40
CXCR4 P61073 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL23028116 1.00 HTR1A (0.53) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL21117515 0.85 HTR1A (0.46) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL30279700 0.85 HTR1A (0.46) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL21988030 0.85 HTR1A (0.46) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL8056158 0.85 DRD2 (0.50) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL25391327 0.84 DRD2 (0.43) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL13891 0.82 HTR1A (0.44) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL2757250 0.82 CCR1 (0.48) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL24575808 0.80 HTR1A (0.40) HTR1ADRD2HTR2AHTR7CNR2
SCHEMBL13490495 0.80 DRD2 (0.47) DRD2

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-4019493-A1 METHOD FOR PRODUCING CARBONYL COMPOUND AND FLOW REACTION SYSTEM USED FOR PRODUCTION OF CARBONYL COMPOUND FUJIFILM Corporation (JP) 2022-06-29 EP disclosed