SCHEMBL11636616

SCHEMBL11636616

O=C1c2cccc3cccc(c23)C(O)N1CCN1CC=C(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTR1A P08908 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ SLC6A2 P23975 4/20 0.36
▸ SLC6A3 Q01959 4/20 0.36
▸ SLC6A4 P31645 4/20 0.36
▸ DRD1 P21728 1/20 0.35
▸ MDM2 Q00987 3/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34

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
SCHEMBL11631767 0.92 L3MBTL1 (0.47) L3MBTL1HTR1ALMNAKDM4EMAPT
SCHEMBL11632135 0.83 L3MBTL1 (0.46) L3MBTL1HTR1ALMNAKDM4EMAPT
SCHEMBL11629570 0.83 L3MBTL1 (0.41) L3MBTL1HTR1ALMNAKDM4EMAPT
SCHEMBL11634736 0.82 L3MBTL1 (0.44) L3MBTL1HTR1ALMNAKDM4EMAPT
SCHEMBL11633446 0.82 L3MBTL1 (0.44) L3MBTL1HTR1AKDM4EMAPTALDH1A1
SCHEMBL11632587 0.82 L3MBTL1 (0.50) L3MBTL1HTR1ALMNAKDM4EMAPT
SCHEMBL11632713 0.80 L3MBTL1 (0.47) L3MBTL1HTR1ALMNAKDM4EHPGD
SCHEMBL11629904 0.79 L3MBTL1 (0.47) L3MBTL1LMNAKDM4EMAPTALDH1A1
SCHEMBL11807495 0.79 DRD2 (0.50) HTR1ALMNAKDM4EMAPTALDH1A1
SCHEMBL11633966 0.79 HTR1A (0.56) L3MBTL1HTR1A

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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