SCHEMBL7117159

SCHEMBL7117159

CC1(C2=Cc3ccccc3C2)C(=O)Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GPR84 Q9NQS5 1/20 0.33
PTGS2 P35354 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ACHE P22303 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30

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 0.78 HTR2A (0.35) HTR2AMAOAMAOBGPR84PTGS2
SCHEMBL7932507 0.76 MAOA (0.33) HTR2AMAOAMAOB
SCHEMBL317588 0.75 MMP2 (0.44) HTR2AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL317589 0.75 MMP2 (0.44) HTR2AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL7122632 0.73 MAOA (0.36) HTR2AMAOAMAOBALDH1A1
SCHEMBL7123265 0.72 ALDH1A1 (0.33) MAOAMAOBALDH1A1
SCHEMBL5740020 0.70 HTR2A (0.48) HTR2AMAOAALDH1A1CYP1A2MEN1
SCHEMBL15490742 0.65 HTR2A (0.43) HTR2AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL7652059 0.64 MAOB (0.37) HTR2AMAOAMAOBALDH1A1CYP1A2
SCHEMBL6070424 0.64 ALDH1A1 (0.43) HTR2AALDH1A1CYP1A2MEN1KMT2A

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