SCHEMBL11631804

SCHEMBL11631804

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCN(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ HTR7 P34969 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ HTR1A P08908 8/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ DRD2 P14416 5/20 0.45
▸ HTR2A P28223 4/20 0.44
▸ HTR6 P50406 4/20 0.44

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
SCHEMBL11630627 0.94 HTR7 (0.61) L3MBTL1HTR7KDM4EALDH1A1MAPT
SCHEMBL11635336 0.94 HTR7 (0.58) L3MBTL1HTR7KDM4EALDH1A1MAPT
SCHEMBL11629224 0.90 DRD2 (0.56) L3MBTL1HTR7KDM4EALDH1A1MAPT
SCHEMBL11630691 0.90 KDM4E (0.61) L3MBTL1HTR7KDM4EALDH1A1MAPT
SCHEMBL11629079 0.89 L3MBTL1 (0.51) L3MBTL1HTR7KDM4ELMNAMAPK1
SCHEMBL11632645 0.88 L3MBTL1 (0.50) L3MBTL1HTR7KDM4EALDH1A1MAPT
SCHEMBL11631256 0.88 HTR1A (0.62) L3MBTL1HTR7KDM4EALDH1A1MAPT
SCHEMBL11636824 0.87 L3MBTL1 (0.49) L3MBTL1HTR7KDM4EMAPTLMNA
SCHEMBL11629077 0.87 L3MBTL1 (0.56) L3MBTL1KDM4EALDH1A1MAPTLMNA
SCHEMBL11635081 0.87 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPTLMNA

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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