SCHEMBL7828882

SCHEMBL7828882

NC(=O)C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)CC1COc2ccccc2O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.57
PLA2G2A P14555 6/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
TRPM8 Q7Z2W7 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
HTR1D P28221 3/20 0.44
SLC6A4 P31645 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL7831289 0.92 LTA4H (0.52) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL7825301 0.80 MTNR1A (0.48) MEN1KMT2ATRPM8MAPTKDM4E
SCHEMBL7824557 0.80 NPSR1 (0.47) KMT2AMAPTKDM4ECYP1A2CYP3A4
SCHEMBL7828880 0.79 MAPT (0.70) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL7837182 0.78 MAPT (0.49) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL7817351 0.76 SMN1; SMN2 (0.57) LTA4HPLA2G2ATRPM8MAPTKDM4E
SCHEMBL7824582 0.75 HTR1A (0.50) MAPTSLC6A4
SCHEMBL7834303 0.74 MAPT (0.61) MEN1KMT2AMAPT
SCHEMBL7825689 0.74 MTNR1A (0.48) MEN1KMT2ATRPM8MAPTKDM4E
SCHEMBL2031240 0.73 LTA4H (1.00) LTA4HPLA2G2AMEN1KMT2AHSP90AA1

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 4 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
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed
WO-1997017343-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-15 WO disclosed