SCHEMBL7118355

SCHEMBL7118355

CCCC1(C2=Cc3ccccc3C2)Cc2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PTGS2 P35354 1/20 0.34
ALOX12 P18054 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
PRNP P04156 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
SCHEMBL7123006 0.82 NPSR1 (0.40) NPSR1HTTLMNAL3MBTL1MTNR1A
SCHEMBL7123284 0.82 NPSR1 (0.54) NPSR1HTTLMNAL3MBTL1MTNR1A
SCHEMBL15600622 0.82 NPSR1 (0.54) NPSR1HTTLMNAL3MBTL1MTNR1A
SCHEMBL15600621 0.82 NPSR1 (0.54) NPSR1HTTLMNAL3MBTL1MTNR1A
SCHEMBL14669729 0.74 HTT (0.38) NPSR1HTTLMNAL3MBTL1MTNR1A
SCHEMBL16475630 0.74 TRPA1 (0.38) NPSR1HTTLMNAL3MBTL1MTNR1A
SCHEMBL7129581 0.74 TRPA1 (0.38) NPSR1HTTLMNAL3MBTL1MTNR1A
SCHEMBL14669728 0.74 HTT (0.38) NPSR1HTTLMNAL3MBTL1MTNR1A
SCHEMBL16475631 0.74 TRPA1 (0.38) NPSR1HTTLMNAL3MBTL1MTNR1A
SCHEMBL16475629 0.74 TRPA1 (0.38) NPSR1HTTLMNAL3MBTL1MTNR1A

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