SCHEMBL7825306

SCHEMBL7825306

COc1ccc2[nH]cc(C(CCC(N)=O)C(C3=CC=CCC3)C3=COC=CO3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.38
MTNR1B P49286 4/20 0.38
HTR2B P41595 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.34
HTR1A P08908 1/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8690809 0.89 HTR2B (0.38) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL7824590 0.88 MPO (0.41) MTNR1AMTNR1BHTR2AHTR2CALDH1A1
SCHEMBL8694687 0.88 HTR2B (0.38) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL8599471 0.83 LTA4H (0.41) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL8690899 0.77 MPO (0.31)
SCHEMBL7817703 0.73 HTR2A (0.43) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL7824434 0.73 HTR2A (0.44) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL7817689 0.62 HTR2C (0.39) HTR2BHTR2AHTR2CKDM4ETRPV1
SCHEMBL16495066 0.62 MTNR1A (0.70) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL29003613 0.62 HTR2B (0.59) MTNR1AMTNR1BHTR2BHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861248-B1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PROD (US) 2001-12-12 EP disclosed
EP-0861248-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-02 EP disclosed
WO-1997017343-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-15 WO disclosed