SCHEMBL28686296

SCHEMBL28686296

O=C1c2cccc3c(-c4nc5ccccc5[nH]4)ccc(c23)N1CCCCN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.47
HTR7 P34969 12/20 0.46
HTR1A P08908 11/20 0.46
DRD2 P14416 11/20 0.46
HTR2A P28223 11/20 0.46
HTR6 P50406 11/20 0.46
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL28693050 0.92 HTR4 (0.48) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL27825026 0.88 TRPV4 (0.48) TRPV4HTR1APDE10A
SCHEMBL28684146 0.80 PDE10A (0.43) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL28932829 0.79 PDE10A (0.43) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL28684142 0.79 PDE10A (0.43) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL28686300 0.79 PDE10A (0.42) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL28683129 0.79 PDE10A (0.42) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL27825025 0.78 PDE10A (0.53) PDE10A
SCHEMBL27925658 0.78 NPC1 (0.43) TRPV4
SCHEMBL28704956 0.77 PDE10A (0.40) PDE10A

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-109665987-B Naphthaleneimide-polyamine conjugates, methods of making and uses thereof 河南大学 2022-02-18 CN disclosed