SCHEMBL6948769

SCHEMBL6948769

COc1ccc2[nH]cc(CCN3C(=O)CCCC3=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.67
▸ MAPT P10636 3/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ HTR1A P08908 6/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ CYP2D6 P10635 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ HTR1D P28221 2/20 0.57
▸ HTR1B P28222 2/20 0.57
▸ HTR2C P28335 2/20 0.57
▸ HTR7 P34969 2/20 0.57
▸ HTR6 P50406 2/20 0.57
▸ HTR4 Q13639 2/20 0.57
▸ TSHR P16473 1/20 0.57

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
SCHEMBL11536860 0.85 HTR2A (0.68) HTR2AMAPTL3MBTL1ALDH1A1HTR1A
SCHEMBL10256766 0.84 HTR2A (0.64) HTR2AMAPTL3MBTL1ALDH1A1HTR1A
SCHEMBL2823989 0.82 TRPM8 (0.62) MAPTHTR1AMEN1KMT2AHTR1D
SCHEMBL17525726 0.81 GAA (0.66) HTR2AMAPTALDH1A1HTR1AMEN1
SCHEMBL17525734 0.81 MPO (0.64) HTR2AHTR1AKMT2ATRPM8GPR84
SCHEMBL17525691 0.81 SLC6A4 (0.49) HTR2AMAPTL3MBTL1ALDH1A1HTR1A
SCHEMBL8229566 0.81 MAPT (0.87) HTR2AMAPTL3MBTL1ALDH1A1HTR1A
SCHEMBL24723815 0.80 HTR2A (0.97) HTR2AMAPTHTR1ACYP2D6CYP1A2
SCHEMBL29633130 0.80 HTR2A (0.97) HTR2AMAPTHTR1ACYP2D6CYP1A2
SCHEMBL25249411 0.80 HTR2A (1.00) HTR2AMAPTHTR1ACYP2D6CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851855-B9 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2003-05-21 — — EP claimed
EP-0851855-B1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2002-06-05 — — EP claimed
EP-0851855-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1998-07-08 — — EP claimed
WO-1997006140-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1997-02-20 — — WO claimed
EP-0851855-B9 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2003-05-21 — — EP disclosed
EP-0851855-B1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS MACEF (FR) 2002-06-05 — — EP disclosed
US-6140372-A N-(2-(2-ACETYL-7-METHOXYNAPHTH-1-YL)ETHYL)ACETAMIDE; SEDATIVES; MELATONIN DISORDERS; DRUGS; COSMETICS; ANTIDEPRESSANTS; PSYCHIATRIC DISORDERS, E.G., STRESS, ANXIOLYTIC AGENTS, INSOMNIA, SCHIZOPHRENIA, PSYCHOSIS CEMAF AND LABORATORIES BESINS ISOVESCO S.A. (FR) 2000-10-31 — — US disclosed
US-6004991-A COMPOUNDS FOR COSMETICS WITH ENANTIOMORPHS CEMAF AND LABORATOIRES BESINS ISCOVESCO S.A. (FR) 1999-12-21 — — US disclosed
EP-0851855-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1998-07-08 — — EP disclosed
WO-1997006140-A1 ACYLATED DERIVATIVES OF MELATONIN AND ITS ANALOGUES, USEFUL AS MEDICAMENTS CEMAF (FR) 1997-02-20 — — WO disclosed
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