SCHEMBL24041848

SCHEMBL24041848

COc1ccc(CCOc2ccccc2CCN)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.59
▸ TAAR1 Q96RJ0 2/20 0.58
▸ MAOB P27338 2/20 0.53
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KCNH2 Q12809 1/20 0.50
▸ HRH1 P35367 1/20 0.47

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
SCHEMBL15515962 0.81 HTR1A (0.54) ABCB1MAPTHPGDATML3MBTL1
SCHEMBL12301152 0.78 L3MBTL1 (0.54) ABCB1TAAR1MAPTHPGDATM
SCHEMBL24041794 0.78 ABCB1 (0.58) ABCB1MAPTHPGDATML3MBTL1
SCHEMBL2911351 0.78 TAAR1 (0.59) TAAR1MAPTHPGDATML3MBTL1
SCHEMBL27449242 0.76 TAAR1 (0.62) TAAR1MAPTHPGDATML3MBTL1
SCHEMBL3053018 0.76 TAAR1 (0.61) TAAR1MAPTHPGDATML3MBTL1
Phenethylamine SCHEMBL22129843 0.76 TAAR1 (0.84) TAAR1MAOB
SCHEMBL24041834 0.75 ABCB1 (0.54) ABCB1MAPTHPGDATML3MBTL1
SCHEMBL29350784 0.75 TAAR1 (1.00) TAAR1HRH1
SCHEMBL305943 0.75 TAAR1 (1.00) TAAR1HRH1

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-3912972-A1 SOCE INHIBITORS AND THERAPEUTIC USES THEREOF Centre Hospitalier Régional et Universitaire de Brest (FR) 2021-11-24 — — EP disclosed
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