SCHEMBL11629421

SCHEMBL11629421

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCC(CCCCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CCR3 P51677 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.39
▸ PDE6D O43924 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
SCHEMBL11632598 0.97 L3MBTL1 (0.49) L3MBTL1CCR3SIGMAR1HRH3DRD4
SCHEMBL11628957 0.93 L3MBTL1 (0.51) L3MBTL1DRD4ACHEKDM4EALDH1A1
SCHEMBL11744576 0.89 L3MBTL1 (0.53) L3MBTL1CCR3SIGMAR1DRD4KDM4E
SCHEMBL11633867 0.88 L3MBTL1 (0.54) L3MBTL1SIGMAR1DRD4KDM4EALDH1A1
SCHEMBL11634062 0.87 L3MBTL1 (0.43) L3MBTL1HRH3ACHEALDH1A1GAA
SCHEMBL11630384 0.87 L3MBTL1 (0.53) L3MBTL1CCR3SIGMAR1DRD4ALDH1A1
SCHEMBL11633880 0.86 CHRNB2 (0.46) L3MBTL1SIGMAR1KDM4EALDH1A1GAA
SCHEMBL11629077 0.86 L3MBTL1 (0.56) L3MBTL1DRD4KDM4EALDH1A1GAA
SCHEMBL11634699 0.85 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11631967 0.83 L3MBTL1 (0.48) L3MBTL1SIGMAR1KDM4EALDH1A1GAA

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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