SCHEMBL7829243

SCHEMBL7829243

CC(CCc1c[nH]c2ccccc12)C(N)=O.Oc1ccc2c(c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR1A P08908 1/20 0.45
HTT P42858 1/20 0.45
PTGS1 P23219 1/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
APAF1 O14727 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 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
SCHEMBL7602497 0.83 MAPT (0.59) MEN1KMT2AHTR1AMAPTPOLB
SCHEMBL27513935 0.77 MAPT (0.51) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL28931928 0.71 ALDH1A1 (0.56) MEN1KMT2AHTR1AMAPTPOLB
SCHEMBL8266826 0.71 POLB (0.76) MEN1KMT2AHTR1AMAPTPOLB
SCHEMBL4666382 0.71 POLB (0.76) MEN1KMT2AHTR1AMAPTPOLB
SCHEMBL7837182 0.70 MAPT (0.49) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL104310 0.69 HTR2A (0.61) MEN1KMT2AHTR1AHTTMAPT
SCHEMBL23249644 0.69 ALDH1A1 (0.55) NPC1RAB9AMEN1KMT2AHTR1A
SCHEMBL26428319 0.68 HTR2A (0.60) MEN1KMT2AHTR1AMAPTPOLB
SCHEMBL23762398 0.68 HTR2A (0.60) MEN1KMT2AHTR1AMAPTPOLB

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