SCHEMBL11631244

SCHEMBL11631244

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ RAD52 P43351 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ ADRA1D P25100 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ ADRA1B P35368 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL11635081 0.90 L3MBTL1 (0.56) L3MBTL1RAD52ADRA1DADRA1AADRA1B
SCHEMBL11632587 0.83 L3MBTL1 (0.50) L3MBTL1HTR1ADRD2HTR2AHTR7
SCHEMBL11633309 0.82 RAD52 (0.49) L3MBTL1HTR1ADRD2HTR2AHTR7
SCHEMBL11629077 0.82 L3MBTL1 (0.56) L3MBTL1RAD52DRD4ADRA1DADRA1A
SCHEMBL11633867 0.80 L3MBTL1 (0.54) L3MBTL1HTR7RAD52DRD4KDM4E
SCHEMBL11830608 0.80 KDM4E (0.59) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11631804 0.80 L3MBTL1 (0.59) L3MBTL1HTR1ADRD2HTR2AHTR7
SCHEMBL11629079 0.80 L3MBTL1 (0.51) L3MBTL1HTR1ADRD2HTR2AHTR7
SCHEMBL11630558 0.79 L3MBTL1 (0.53) L3MBTL1DRD2RAD52KDM4ELMNA
SCHEMBL11744576 0.79 L3MBTL1 (0.53) L3MBTL1HTR1ADRD2HTR2AHTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 — — US disclosed
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