SCHEMBL11633309

SCHEMBL11633309

COc1cc(CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3O)CC2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTR1A P08908 3/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ HTR6 P50406 3/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41

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 0.85 L3MBTL1 (0.56) RAD52L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL11631256 0.83 HTR1A (0.62) L3MBTL1KDM4EALDH1A1POLBHTR1A
SCHEMBL11631244 0.82 L3MBTL1 (0.50) RAD52L3MBTL1KDM4EALDH1A1POLB
SCHEMBL11630716 0.82 RAD52 (0.43) RAD52L3MBTL1KDM4EALDH1A1POLB
SCHEMBL11837583 0.81 RAD52 (0.69) RAD52KDM4EALDH1A1POLBHTR1A
SCHEMBL11636284 0.79 DRD2 (0.63) KDM4EALDH1A1HTR1ADRD2HTR2A
SCHEMBL11629077 0.79 L3MBTL1 (0.56) RAD52L3MBTL1KDM4EALDH1A1POLB
SCHEMBL11633867 0.77 L3MBTL1 (0.54) RAD52L3MBTL1KDM4EALDH1A1POLB
SCHEMBL11631804 0.77 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HTR1ADRD2
SCHEMBL11629079 0.77 L3MBTL1 (0.51) RAD52L3MBTL1KDM4EPOLBHTR1A

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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