SCHEMBL11630627

SCHEMBL11630627

O=C1c2cccc3cccc(c23)C(O)N1CCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 7/20 0.61
▸ HTR1A P08908 10/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ DRD2 P14416 7/20 0.50
▸ HTR2A P28223 5/20 0.50
▸ HTR6 P50406 5/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ DRD5 P21918 1/20 0.49
▸ DRD4 P21917 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48

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
SCHEMBL11635336 0.98 HTR7 (0.58) HTR7HTR1AL3MBTL1KDM4ELMNA
SCHEMBL11631804 0.94 L3MBTL1 (0.59) HTR7HTR1AL3MBTL1KDM4ELMNA
SCHEMBL11629816 0.86 HTR7 (0.67) HTR7HTR1AL3MBTL1KDM4EDRD2
SCHEMBL11630691 0.84 KDM4E (0.61) HTR7HTR1AL3MBTL1KDM4ELMNA
SCHEMBL11744576 0.84 L3MBTL1 (0.53) HTR7HTR1AL3MBTL1KDM4EDRD2
SCHEMBL11629224 0.84 DRD2 (0.56) HTR7HTR1AL3MBTL1KDM4ELMNA
SCHEMBL11632747 0.84 L3MBTL1 (0.47) HTR7L3MBTL1
SCHEMBL11632263 0.84 HTR7 (0.64) HTR7HTR1AL3MBTL1KDM4EDRD2
SCHEMBL11629868 0.83 SIGMAR1 (0.47) HTR7L3MBTL1
SCHEMBL11631445 0.83 SIGMAR1 (0.47) HTR7L3MBTL1

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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