SCHEMBL7122632

SCHEMBL7122632

O=C1Cc2ccccc2C1(Cc1ccccc1)C1=Cc2ccccc2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
AR P10275 3/20 0.32
NR3C1 P04150 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL7120385 0.83 HTR2A (0.35) MAOAMAOBNPSR1HTR2AALDH1A1
SCHEMBL7123265 0.80 ALDH1A1 (0.33) MAOAMAOBALDH1A1
SCHEMBL7117159 0.73 HTR2A (0.38) MAOAMAOBHTR2AALDH1A1
SCHEMBL15600622 0.69 NPSR1 (0.54) MAOAMAOBLMNAHTTNPSR1
SCHEMBL15600621 0.69 NPSR1 (0.54) MAOAMAOBLMNAHTTNPSR1
SCHEMBL7123284 0.69 NPSR1 (0.54) MAOAMAOBLMNAHTTNPSR1
SCHEMBL7127323 0.68 SIGMAR1 (0.35) MAOAMAOBSIGMAR1HTR2AHTR2C
SCHEMBL7932507 0.68 MAOA (0.33) MAOAMAOBHTR2A
SCHEMBL7932527 0.64 L3MBTL1 (0.38) MAOAMAOBLMNAHTTNPSR1
SCHEMBL7932529 0.64 L3MBTL1 (0.38) MAOAMAOBLMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865419-B1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE VENANTIUS LTD (IE) 2003-08-06 EP claimed
US-6300376-B1 FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY VENANTIUS LIMITED (IR) 2001-10-09 US claimed
EP-0865419-B1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE VENANTIUS LTD (IE) 2003-08-06 EP disclosed
US-6300376-B1 FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY VENANTIUS LIMITED (IR) 2001-10-09 US disclosed
WO-1997020802-A1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE VENANTIUS LIMITED (IE) 1997-06-12 WO disclosed