SCHEMBL11630749

SCHEMBL11630749

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCC(O)(CCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SIGMAR1 Q99720 7/20 0.39
▸ HTR2A P28223 4/20 0.39
▸ HTR2C P28335 4/20 0.39
▸ HTR2B P41595 4/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11631967 0.94 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPTGAAKDM4E
SCHEMBL11634610 0.92 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL11744846 0.91 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPTGAAKDM4E
SCHEMBL11629077 0.88 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPTGAAKDM4E
SCHEMBL11630520 0.86 L3MBTL1 (0.44) L3MBTL1ALDH1A1MAPTKDM4EOPRM1
SCHEMBL11633867 0.86 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPTGAAKDM4E
SCHEMBL11744576 0.85 L3MBTL1 (0.53) L3MBTL1ALDH1A1MAPTGAAKDM4E
SCHEMBL11634992 0.85 L3MBTL1 (0.53) L3MBTL1ALDH1A1MAPTGAAKDM4E
SCHEMBL11635081 0.83 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPTGAALMNA
SCHEMBL11628957 0.83 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPTGAAKDM4E

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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