SCHEMBL11628469

SCHEMBL11628469

COc1ccccc1C1(O)CCN(CCN2C(=O)c3cccc4cccc(c34)C2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SLC6A1 P30531 1/20 0.46
▸ SLC6A12 P48065 1/20 0.46
▸ SLC6A11 P48066 1/20 0.46
▸ SLC6A13 Q9NSD5 1/20 0.46
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 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
SCHEMBL11634992 0.84 L3MBTL1 (0.53) L3MBTL1DRD2DRD3HTR7OPRL1
SCHEMBL11636284 0.82 DRD2 (0.63) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL11808412 0.80 DRD2 (0.66) SLC6A1SLC6A12SLC6A11SLC6A13DRD2
SCHEMBL11634977 0.79 L3MBTL1 (0.47) L3MBTL1DRD2OPRM1OPRL1LMNA
SCHEMBL11744846 0.78 L3MBTL1 (0.51) L3MBTL1DRD2HTR2AOPRM1OPRD1
SCHEMBL11629536 0.78 SIGMAR1 (0.46) L3MBTL1DRD2HTR7OPRL1LMNA
SCHEMBL11629858 0.78 L3MBTL1 (0.44) L3MBTL1OPRM1OPRL1LMNARAD52
SCHEMBL11630716 0.78 RAD52 (0.43) L3MBTL1DRD2HTR1AHTR2AHTR7
SCHEMBL11629977 0.77 SIGMAR1 (0.46) L3MBTL1DRD2HTR1AHTR2AHTR7
SCHEMBL11630749 0.77 L3MBTL1 (0.50) L3MBTL1DRD2HTR2AOPRM1LMNA

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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