SCHEMBL24394419

SCHEMBL24394419

CCc1cc(CCCN)cc(PC)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ CYP2A6 P11509 1/20 0.31

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
SCHEMBL7435676 0.65 MAOA (0.48) CYP2A6
SCHEMBL17974263 0.65 TLR8 (0.42) TLR8CYP2A6
SCHEMBL17974264 0.65 TLR8 (0.42) TLR8CYP2A6
SCHEMBL14511360 0.64 NOS3 (0.40) NOS3NOS2
SCHEMBL21436419 0.64 NOS3 (0.45) NOS3NOS2
SCHEMBL17974262 0.64 HRH1 (0.37) CYP2A6
SCHEMBL7812138 0.63 MAOA (0.48) TLR8
SCHEMBL21217335 0.62 NOS3 (0.36) NOS3NOS2
SCHEMBL31209938 0.62 PTGS2 (0.46) NOS2
SCHEMBL16414475 0.61 NOS3 (0.42) NOS3NOS2CYP2A6

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-2022090284-A1 EUROPIUM(III) COMPLEXES AS PH SENSORS CISBIO BIOASSAYS (FR) 2022-05-05 — — WO disclosed
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