SCHEMBL25630556

SCHEMBL25630556

NCCn1ccc2cc(OCc3ccc(F)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.49
▸ PPARD Q03181 2/20 0.48
▸ PPARA Q07869 2/20 0.48
▸ BCL2 P10415 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ PPARG P37231 1/20 0.45
▸ SCN9A Q15858 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ APP P05067 1/20 0.42

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
SCHEMBL25630563 0.84 HTR2A (0.53) MAOBPPARDPPARABCL2MCL1
SCHEMBL25420142 0.81 HTR2C (0.66) MAOBPPARDPPARAPPARG
SCHEMBL30488389 0.81 HTR2C (0.66) MAOBPPARDPPARAPPARG
SCHEMBL25420145 0.81 HTR2C (0.66) MAOBPPARDPPARAPPARG
SCHEMBL5894002 0.81 MAPK14 (0.53) MAOBPPARDPPARABCL2MCL1
SCHEMBL8959780 0.79 HTR2C (0.59) SCN9A
SCHEMBL21245274 0.78 BCL2 (0.50) PPARDPPARABCL2MCL1
SCHEMBL25421751 0.77 HTR2C (0.47) MAOBPPARDPPARABCL2MCL1
SCHEMBL25421755 0.77 HTR2C (0.47) MAOBPPARDPPARABCL2MCL1
SCHEMBL30488390 0.77 HTR2C (0.47) MAOBPPARDPPARABCL2MCL1

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-2023114238-A1 ARYLOXY PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 — — WO disclosed
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