SCHEMBL7629751

SCHEMBL7629751

O=Cc1ccc2c(c1)CCC(COCc1ccccc1)O2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CA2 P00918 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
DRD2 P14416 9/20 0.41
DRD4 P21917 9/20 0.41
DRD3 P35462 9/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
HTR6 P50406 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL8458648 0.95 ITGB3 (0.40) LMNACA2ITGB3ITGA2BDRD2
SCHEMBL9151283 0.84 HTR1A (0.45) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8804880 0.84 HTR1A (0.45) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8805795 0.81 ITGB3 (0.51) LMNACA2ITGB3ITGA2BHTR6
SCHEMBL9127805 0.81 ITGB3 (0.51) LMNACA2ITGB3ITGA2BHTR6
SCHEMBL7636277 0.81 ITGB3 (0.48) LMNACA2ITGB3ITGA2BDRD2
SCHEMBL7631192 0.81 CA2 (0.57) LMNACA2DRD2DRD4DRD3
SCHEMBL7634476 0.80 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8317334 0.80 ITGB3 (0.51) LMNACA2ITGB3ITGA2BDRD2
SCHEMBL7628633 0.77 MAOA (0.41) LMNAMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed