SCHEMBL7836619

SCHEMBL7836619

C1=COc2ccccc2C1.[KH]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 2/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
OXTR P30559 1/20 0.33
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1420110 0.98 MAOA (0.41) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL9209 0.98 MAOA (0.41) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL29434883 0.98 MAOA (0.41) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL7197365 0.98 MAOA (0.41) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL4860431 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
Water SCHEMBL1552056 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL39996 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL2143603 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL9249037 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL11161478 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891063-B1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2012-07-25 EP disclosed
EP-0747374-B1 Sulfonamido substituted benzopyran potassium channel activators BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
EP-0747374-A1 Sulfonamido substituted benzopyran potassium channel activators BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed