SCHEMBL11630716

SCHEMBL11630716

COc1cccc(CC2(O)CCN(CCN3C(=O)c4cccc5cccc(c45)C3O)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HEXA P06865 1/20 0.42
▸ HEXB P07686 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GRIN2B Q13224 3/20 0.39
▸ PKLR P30613 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11744846 0.87 L3MBTL1 (0.51) RAD52L3MBTL1KDM4EALDH1A1DRD2
SCHEMBL11741206 0.84 L3MBTL1 (0.46) RAD52L3MBTL1POLBKDM4EALDH1A1
SCHEMBL11633309 0.82 RAD52 (0.49) RAD52L3MBTL1POLBKDM4EALDH1A1
SCHEMBL11801300 0.81 HTR1A (0.64) RAD52POLBKDM4EALDH1A1HEXA
SCHEMBL11630749 0.81 L3MBTL1 (0.50) RAD52L3MBTL1POLBKDM4EALDH1A1
SCHEMBL11632571 0.80 L3MBTL1 (0.43) RAD52L3MBTL1POLBKDM4EALDH1A1
SCHEMBL11631967 0.79 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1DRD2HTR2A
SCHEMBL11628469 0.78 L3MBTL1 (0.47) RAD52L3MBTL1POLBKDM4EKMT2A
SCHEMBL11629858 0.78 L3MBTL1 (0.44) RAD52L3MBTL1POLBKDM4EKMT2A
SCHEMBL11631256 0.77 HTR1A (0.62) L3MBTL1POLBKDM4EALDH1A1KMT2A

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
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
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