SCHEMBL31435344

SCHEMBL31435344

CC1=C(C=O)CCc2cc(OCc3ccc(C#N)nc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.44
MAOA P21397 11/20 0.44
S1PR1 P21453 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
SRD5A1 P18405 3/20 0.36

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
SCHEMBL450942 0.80 MAOB (0.56) MAOBMAOAS1PR1HRH3SRD5A1
SCHEMBL31435373 0.76 S1PR1 (0.70) S1PR1
SCHEMBL21300674 0.75 MAOB (0.51) MAOBMAOAS1PR1HRH3SRD5A1
SCHEMBL31435326 0.74 S1PR1 (0.60) S1PR1
SCHEMBL316466 0.71 CYP26A1 (0.48)
SCHEMBL15970713 0.71 S1PR1 (0.39) MAOBMAOAS1PR1HRH3SRD5A1
SCHEMBL448481 0.71 S1PR1 (0.59) MAOBMAOAS1PR1
SCHEMBL1876268 0.71 S1PR1 (0.47) MAOBMAOAS1PR1SRD5A1
SCHEMBL465071 0.71 S1PR1 (0.62) MAOBMAOAS1PR1
SCHEMBL10088588 0.70 SRD5A1 (0.42) MAOBMAOAS1PR1SRD5A1

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-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed