SCHEMBL7120385

SCHEMBL7120385

CCC1(C2=Cc3ccccc3C2)C(=O)Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 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
SCHEMBL7122632 0.83 MAOA (0.36) HTR2AMAOAMAOBTSHRNPSR1
SCHEMBL7123265 0.82 ALDH1A1 (0.33) MAOAMAOBALDH1A1
SCHEMBL7117159 0.78 HTR2A (0.38) HTR2AMAOAMAOBMTNR1AMTNR1B
SCHEMBL7932507 0.72 MAOA (0.33) HTR2AMAOAMAOB
SCHEMBL3695615 0.64 ALDH1A1 (0.40) HTR2ATSHRAPEX1TDP1GRIN2D
SCHEMBL5740020 0.63 HTR2A (0.48) HTR2AMAOAMEN1CYP1A2TSHR
SCHEMBL7118355 0.63 NPSR1 (0.40) HTR2AMAOAMAOBMTNR1AMTNR1B
SCHEMBL7652059 0.61 MAOB (0.37) HTR2AMAOAMAOBCYP1A2TSHR
SCHEMBL1539683 0.60 ACHE (0.53) HTR2AMAOAMAOBMTNR1AMTNR1B
SCHEMBL12409767 0.60 HTR2A (0.40) HTR2AMAOAMEN1CYP1A2KMT2A

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-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